data_1qey_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 1qey _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.421 ' HB3' ' CB ' ' B' ' 78' ' ' TYR . . . . . . . . 0 N--CA 1.455 -0.182 0 CA-C-O 120.841 0.353 . . . . 34.229999999999997 110.668 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -64.05 -55.25 23.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.042 -0.526 . . . . 30.039999999999999 110.598 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.58 -43.72 75.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.901 -0.591 . . . . 35.799999999999997 110.339 179.522 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.432 HD12 ' CZ ' ' B' ' 78' ' ' TYR . 2.1 tm? -60.09 -46.82 88.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.817 -0.629 . . . . 26.190000000000001 110.687 179.622 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.25 -39.0 74.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.102 -0.499 . . . . 20.399999999999999 111.021 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -57.51 -41.34 80.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.491 . . . . 21.309999999999999 110.811 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.3 -63.46 1.3 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.49 . . . . 22.18 110.945 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 9.4 mp0 -50.24 -45.52 54.14 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.984 -0.553 . . . . 25.870000000000001 110.876 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 55.5 p -60.03 -40.73 90.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 17.870000000000001 110.745 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.39 -27.47 67.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.305 -0.407 . . . . 25.629999999999999 110.735 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 83.8 mt -71.96 -36.56 69.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.276 -0.42 . . . . 18.359999999999999 110.424 179.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 60.4 t -74.66 -44.17 46.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.931 -0.577 . . . . 16.449999999999999 111.159 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 14.3 ptmt -58.9 -41.54 87.45 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.87 0.367 . . . . 14.460000000000001 110.587 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.55 -40.59 93.02 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.138 -0.483 . . . . 12.65 110.213 179.488 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 12.1 tmm? -62.88 -47.03 85.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.874 -0.603 . . . . 9.2599999999999998 110.414 179.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 56.1 t -59.47 -39.66 79.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.158 -0.474 . . . . 9.9600000000000009 110.5 179.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.481 ' CE2' ' HE2' ' A' ' 75' ' ' LYS . 24.8 t80 -53.07 -57.37 10.62 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.19 -0.459 . . . . 13.800000000000001 110.187 179.529 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 38.8 m-20 -52.8 -50.86 62.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.145 -0.48 . . . . 11.41 110.739 179.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.6 m -59.85 -69.62 0.2 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.293 -0.412 . . . . 12.380000000000001 110.342 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.478 ' CD1' ' CB ' ' B' ' 62' ' ' GLN . 13.0 mt -49.67 -36.8 26.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 15.390000000000001 111.259 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.481 ' HE2' ' CE2' ' A' ' 71' ' ' PHE . 7.4 ttpt -53.62 -69.34 0.12 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.025 0.44 . . . . 13.529999999999999 110.284 179.657 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -61.26 -32.25 72.06 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.741 -0.663 . . . . 16.800000000000001 111.169 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.2 tp -67.24 -41.32 85.85 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.475 -0.33 . . . . 21.199999999999999 110.766 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.461 ' CZ ' HG23 ' D' ' 73' ' ' THR . 16.6 m-30 -75.0 -18.61 60.34 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.275 -0.421 . . . . 25.890000000000001 110.804 179.494 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.44 -32.11 58.25 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.436 -0.347 . . . . 26.68 110.65 179.534 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 2.3 ttpp -58.4 -30.82 67.13 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.389 -0.369 . . . . 27.48 110.891 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 44.4 p . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.235 -0.439 . . . . 34.630000000000003 110.775 179.858 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.817 0.341 . . . . 34.640000000000001 111.156 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.4 -33.34 63.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.425 . . . . 32.32 111.109 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -76.74 -58.5 3.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 32.240000000000002 110.894 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 46.9 mtp85 -50.89 -29.16 11.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 28.010000000000002 110.657 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . 0.413 ' HB3' ' CE2' ' A' ' 78' ' ' TYR . 20.1 mt -70.59 -62.72 1.28 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.116 -0.493 . . . . 22.75 110.438 179.536 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -45.78 -29.3 1.27 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.832 -0.622 . . . . 20.739999999999998 111.148 179.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -71.49 -43.58 66.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.035 -0.529 . . . . 16.870000000000001 110.572 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -65.51 -32.14 73.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.491 . . . . 12.199999999999999 110.685 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . 0.478 ' CB ' ' CD1' ' A' ' 74' ' ' LEU . 3.4 mm-40 -72.55 -47.15 50.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 11.630000000000001 110.599 179.818 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.81 -61.25 2.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.259 -0.428 . . . . 17.210000000000001 110.566 179.752 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -50.58 -39.23 49.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.992 0.425 . . . . 17.32 110.5 179.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.01 -46.87 79.56 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.969 -0.56 . . . . 11.06 110.574 179.634 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 25.6 t -68.95 -33.56 59.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.217 -0.447 . . . . 9.1899999999999995 110.831 179.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.58 -59.19 5.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.087 -0.506 . . . . 16.84 110.687 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 8.5 mttt -53.02 -32.88 49.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.268 -0.424 . . . . 10.17 110.734 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 69' ' ' MET . . . . . 0.428 ' CE ' ' HB3' ' D' ' 62' ' ' GLN . 29.0 ttp -70.56 -51.13 30.56 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.058 -0.519 . . . . 10.9 110.804 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 61.8 t -72.39 -25.28 22.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.132 -0.486 . . . . 10.960000000000001 111.066 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 14.8 t80 -60.5 -48.05 83.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 18.079999999999998 110.777 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -66.01 -41.78 90.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.068 -0.514 . . . . 24.02 110.728 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 73' ' ' THR . . . . . 0.479 HG23 ' CZ ' ' C' ' 78' ' ' TYR . 73.8 m -52.47 -58.3 7.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.105 -0.498 . . . . 22.469999999999999 110.772 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 86.6 mt -50.68 -38.8 48.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 26.890000000000001 110.847 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 2.2 ttpt -53.65 -51.3 63.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.983 0.421 . . . . 30.84 110.49 179.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -68.58 -35.48 77.43 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.902 -0.59 . . . . 28.829999999999998 110.677 179.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 17.2 mt -55.64 -45.21 77.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.112 -0.495 . . . . 28.18 110.825 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 78' ' ' TYR . . . . . 0.432 ' CZ ' HD12 ' A' ' 58' ' ' LEU . 11.7 m-85 -78.78 -30.25 45.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.079 -0.51 . . . . 34.530000000000001 110.689 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.083 -0.508 . . . . 43.200000000000003 110.781 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 55' ' ' ALA . . . . . 0.404 ' HB3' ' CB ' ' D' ' 78' ' ' TYR . . . . . . . . 0 N--CA 1.456 -0.133 0 CA-C-O 120.814 0.34 . . . . 30.550000000000001 110.627 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -64.25 -55.23 22.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.106 -0.497 . . . . 28.239999999999998 110.549 179.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.5 -43.61 76.46 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.976 -0.556 . . . . 28.98 110.342 179.548 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 58' ' ' LEU . . . . . 0.418 HD12 ' CZ ' ' D' ' 78' ' ' TYR . 2.1 tm? -60.33 -46.66 89.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.802 -0.636 . . . . 30.010000000000002 110.669 179.661 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.18 -39.3 75.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 26.210000000000001 110.964 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -57.29 -41.37 79.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.128 -0.487 . . . . 25.469999999999999 110.787 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.36 -63.42 1.31 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 25.41 110.918 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 9.3 mp0 -50.07 -45.85 52.78 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.063 -0.517 . . . . 19.949999999999999 110.827 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 63' ' ' SER . . . . . . . . . . . . . 57.2 p -59.73 -40.66 88.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.105 -0.498 . . . . 16.460000000000001 110.814 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.55 -27.26 67.61 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.198 -0.455 . . . . 18.219999999999999 110.77 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 65' ' ' LEU . . . . . . . . . . . . . 83.8 mt -72.18 -36.44 69.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 19.539999999999999 110.398 179.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 66' ' ' VAL . . . . . . . . . . . . . 60.4 t -74.75 -44.15 46.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.913 -0.585 . . . . 11.539999999999999 111.084 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 67' ' ' LYS . . . . . . . . . . . . . 14.2 ptmt -58.92 -41.63 87.75 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.319 -0.401 . . . . 16.309999999999999 110.55 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.58 -40.49 92.79 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.175 -0.466 . . . . 21.41 110.254 179.511 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 69' ' ' MET . . . . . . . . . . . . . 12.1 tmm? -63.02 -46.64 86.67 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.871 -0.604 . . . . 9.9000000000000004 110.49 179.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 56.1 t -59.81 -39.78 80.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.214 -0.448 . . . . 7.1699999999999999 110.445 179.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 71' ' ' PHE . . . . . 0.473 ' CE2' ' HE2' ' C' ' 75' ' ' LYS . 24.9 t80 -52.7 -57.6 9.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 19.829999999999998 110.255 179.455 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 38.4 m-20 -52.73 -50.92 62.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.1 -0.5 . . . . 11.949999999999999 110.679 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 73' ' ' THR . . . . . . . . . . . . . 18.4 m -59.82 -69.25 0.22 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.349 -0.387 . . . . 10.619999999999999 110.332 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 74' ' ' LEU . . . . . 0.472 ' CD1' ' CB ' ' D' ' 62' ' ' GLN . 12.8 mt -50.08 -36.49 29.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 18.59 111.134 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 75' ' ' LYS . . . . . 0.473 ' HE2' ' CE2' ' C' ' 71' ' ' PHE . 7.3 ttpt -53.94 -69.52 0.12 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.048 0.451 . . . . 21.050000000000001 110.335 179.629 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 76' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -60.92 -32.34 71.84 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.713 -0.676 . . . . 16.629999999999999 111.077 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 2.2 tp -67.23 -41.39 85.77 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.463 -0.335 . . . . 20.350000000000001 110.807 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 78' ' ' TYR . . . . . 0.479 ' CZ ' HG23 ' B' ' 73' ' ' THR . 16.7 m-30 -75.02 -18.39 60.35 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.349 -0.387 . . . . 26.469999999999999 110.803 179.542 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.57 -32.18 58.0 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.418 -0.355 . . . . 27.07 110.593 179.593 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 2.3 ttpp -58.54 -30.64 67.27 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.344 -0.389 . . . . 30.870000000000001 110.834 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 81' ' ' THR . . . . . . . . . . . . . 44.6 p . . . . . 0 C--N 1.33 -0.267 0 CA-C-O 120.939 0.4 . . . . 34.530000000000001 110.785 179.851 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 . . . . . 0 C--O 1.23 0.047 0 CA-C-O 120.845 0.355 . . . . 34.530000000000001 111.152 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' D' D ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.67 -33.26 63.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 33.969999999999999 111.086 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -76.79 -58.31 3.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 31.600000000000001 110.861 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 57' ' ' ARG . . . . . . . . . . . . . 46.9 mtp85 -51.17 -29.06 12.7 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.272 -0.422 . . . . 23.859999999999999 110.621 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 58' ' ' LEU . . . . . 0.401 ' HB3' ' CE2' ' C' ' 78' ' ' TYR . 20.2 mt -70.63 -62.75 1.27 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.104 -0.498 . . . . 19.809999999999999 110.488 179.537 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 59' ' ' ALA . . . . . . . . . . . . . . . -45.65 -29.41 1.23 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.791 -0.64 . . . . 19.149999999999999 111.168 179.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 60' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -71.48 -43.68 66.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.945 -0.571 . . . . 24.010000000000002 110.574 179.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 61' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -65.52 -31.96 73.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 17.399999999999999 110.68 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 62' ' ' GLN . . . . . 0.472 ' CB ' ' CD1' ' C' ' 74' ' ' LEU . 3.5 mm-40 -72.61 -47.18 49.9 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.234 -0.439 . . . . 15.48 110.619 179.796 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 63' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.72 -61.11 2.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.294 -0.412 . . . . 14.779999999999999 110.587 179.713 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 64' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -50.7 -39.45 51.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.446 . . . . 8.75 110.497 179.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.78 -46.98 79.79 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.837 -0.62 . . . . 6.6900000000000004 110.538 179.629 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 66' ' ' VAL . . . . . . . . . . . . . 25.4 t -69.0 -33.11 57.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.239 -0.437 . . . . 7.4000000000000004 110.917 179.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 67' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.05 -58.51 7.56 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.127 -0.488 . . . . 12.859999999999999 110.784 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 68' ' ' LYS . . . . . . . . . . . . . 8.5 mttt -53.61 -32.98 53.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 20.91 110.674 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 69' ' ' MET . . . . . 0.424 ' CE ' ' HB3' ' B' ' 62' ' ' GLN . 29.1 ttp -70.14 -51.54 30.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.992 -0.549 . . . . 12.99 110.827 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 70' ' ' VAL . . . . . . . . . . . . . 62.3 t -72.2 -25.13 23.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.031 -0.532 . . . . 15.25 111.073 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 14.5 t80 -60.64 -48.03 83.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 25.960000000000001 110.717 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -65.9 -41.77 91.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 28.780000000000001 110.78 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 73' ' ' THR . . . . . 0.461 HG23 ' CZ ' ' A' ' 78' ' ' TYR . 76.4 m -52.5 -58.29 7.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 22.34 110.767 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 74' ' ' LEU . . . . . . . . . . . . . 85.6 mt -50.6 -39.03 48.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.489 . . . . 20.760000000000002 110.845 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 75' ' ' LYS . . . . . . . . . . . . . 2.1 ttpt -53.57 -51.02 64.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 25.870000000000001 110.519 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 76' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -68.83 -35.51 77.05 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.904 -0.589 . . . . 30.829999999999998 110.655 179.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 77' ' ' LEU . . . . . . . . . . . . . 17.3 mt -55.64 -45.28 77.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.043 -0.526 . . . . 30.149999999999999 110.826 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 78' ' ' TYR . . . . . 0.418 ' CZ ' HD12 ' C' ' 58' ' ' LEU . 11.8 m-85 -78.82 -30.04 45.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.024 -0.535 . . . . 32.490000000000002 110.664 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.068 -0.515 . . . . 41.479999999999997 110.705 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.103 0 CA-C-O 120.812 0.339 . . . . 36.609999999999999 110.792 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -65.96 -52.9 45.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 31.640000000000001 110.529 179.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 24.8 mtm180 -62.07 -44.7 96.1 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.941 -0.572 . . . . 39.799999999999997 110.341 179.39 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 14.9 mt -55.7 -53.32 58.08 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.883 -0.599 . . . . 30.91 110.663 179.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -50.18 -32.34 16.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 21.399999999999999 110.908 179.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -81.19 -29.45 34.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.478 . . . . 18.75 110.617 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -77.46 -49.09 15.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.086 -0.506 . . . . 21.969999999999999 110.629 179.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 54.8 mm-40 -63.16 -39.49 94.82 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.847 -0.615 . . . . 23.780000000000001 110.462 179.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 55.6 p -66.6 -36.37 82.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.031 -0.532 . . . . 19.370000000000001 110.39 179.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -57.27 -43.97 83.56 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.08 -0.509 . . . . 26.539999999999999 110.446 179.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.5 mt -59.5 -41.13 89.17 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.076 -0.511 . . . . 20.02 110.31 179.558 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 61.7 t -69.49 -49.57 58.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.974 -0.557 . . . . 16.219999999999999 110.733 179.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.9 tttt -61.32 -41.39 96.94 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.236 -0.438 . . . . 9.2200000000000006 110.35 179.533 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 32.7 ttpt -64.8 -36.66 85.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.033 -0.53 . . . . 15.880000000000001 110.364 179.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 24.0 ttp -65.53 -39.58 91.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.992 -0.549 . . . . 10.119999999999999 110.502 179.663 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 70.3 t -68.1 -45.28 83.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.084 -0.507 . . . . 11.460000000000001 110.826 179.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.427 ' O ' ' CB ' ' A' ' 75' ' ' LYS . 73.3 t80 -51.15 -62.79 1.4 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.493 -0.321 . . . . 18.210000000000001 110.429 179.808 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -50.55 -39.09 48.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.281 -0.418 . . . . 12.9 110.537 179.558 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.6 m -68.39 -73.81 0.14 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.065 -0.516 . . . . 9.9499999999999993 110.358 179.601 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.474 ' CD1' ' CB ' ' B' ' 62' ' ' GLN . 19.0 mt -49.04 -34.54 13.67 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.061 -0.518 . . . . 14.619999999999999 111.045 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.427 ' CB ' ' O ' ' A' ' 71' ' ' PHE . 6.9 tttt -54.58 -68.9 0.15 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.031 -0.532 . . . . 15.65 110.071 179.369 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -63.49 -29.56 70.82 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.592 -0.731 . . . . 18.539999999999999 110.883 179.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.409 ' HB3' ' HA ' ' A' ' 74' ' ' LEU . 0.6 OUTLIER -65.96 -65.65 0.65 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.273 -0.421 . . . . 21.539999999999999 110.586 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 22.6 m-30 -53.92 -27.06 28.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.419 -0.355 . . . . 28.530000000000001 110.855 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 12.7 mttt -67.69 -31.18 70.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 26.109999999999999 110.957 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -75.03 -27.81 60.22 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.148 -0.478 . . . . 29.52 110.957 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.031 -0.532 . . . . 34.789999999999999 111.092 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.629 0.252 . . . . 33.18 111.068 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.55 -46.98 77.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.83 0.348 . . . . 30.23 110.936 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -62.1 -53.13 59.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 33.039999999999999 110.61 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.25 -36.53 61.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 26.649999999999999 110.762 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 4.5 mt -63.99 -58.72 5.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.974 -0.557 . . . . 22.469999999999999 110.883 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 59' ' ' ALA . . . . . 0.401 ' O ' ' OG ' ' B' ' 63' ' ' SER . . . -46.5 -37.14 7.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.908 -0.587 . . . . 22.079999999999998 110.875 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -58.96 -48.33 81.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.939 -0.573 . . . . 21.149999999999999 110.683 179.64 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -60.59 -36.51 78.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 14.550000000000001 110.273 179.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . 0.474 ' CB ' ' CD1' ' A' ' 74' ' ' LEU . 7.9 mm-40 -68.39 -51.75 40.61 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.892 -0.594 . . . . 11.09 110.432 179.486 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 63' ' ' SER . . . . . 0.401 ' OG ' ' O ' ' B' ' 59' ' ' ALA . 0.0 OUTLIER -50.2 -65.3 0.58 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.022 -0.535 . . . . 16.59 110.953 -179.862 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -46.91 -32.61 3.93 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.867 0.365 . . . . 16.260000000000002 111.004 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.32 -41.29 81.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.049 -0.523 . . . . 11.279999999999999 110.674 179.525 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 36.4 t -66.61 -38.28 81.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.102 -0.499 . . . . 8.5800000000000001 111.261 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 67' ' ' LYS . . . . . 0.4 ' O ' ' N ' ' B' ' 71' ' ' PHE . 2.3 tttt -58.09 -51.86 67.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 11.76 111.139 -179.841 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 77.3 tttt -58.78 -32.15 69.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.409 -0.36 . . . . 12.24 110.911 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 69' ' ' MET . . . . . 0.424 ' CE ' ' HB3' ' D' ' 62' ' ' GLN . 23.1 ttp -71.37 -49.61 40.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 11.17 110.85 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 53.1 t -76.94 -24.36 15.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.121 -0.491 . . . . 11.51 111.105 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.4 ' N ' ' O ' ' B' ' 67' ' ' LYS . 32.2 t80 -60.68 -52.08 66.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.255 -0.429 . . . . 17.48 110.647 179.771 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.27 -40.28 93.72 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.153 -0.476 . . . . 24.809999999999999 110.587 179.661 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 73' ' ' THR . . . . . 0.437 HG22 ' CZ ' ' C' ' 78' ' ' TYR . 60.3 m -55.82 -55.23 34.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 24.469999999999999 110.684 179.683 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 13.6 mt -58.1 -42.01 84.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.164 -0.471 . . . . 26.399999999999999 110.882 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 3.4 ttpt -49.61 -41.41 42.14 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.255 -0.43 . . . . 26.859999999999999 110.628 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -77.71 -31.46 52.32 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.937 -0.574 . . . . 27.559999999999999 110.481 179.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 18.4 mt -63.87 -41.6 97.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.981 -0.554 . . . . 28.629999999999999 110.843 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -84.16 -39.33 19.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 32.859999999999999 110.87 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 11.2 tttm . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.022 -0.535 . . . . 43.659999999999997 110.891 179.909 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.096 0 CA-C-O 120.825 0.345 . . . . 30.890000000000001 110.722 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -65.58 -52.86 48.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 28.210000000000001 110.492 179.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 57' ' ' ARG . . . . . . . . . . . . . 24.6 mtm180 -62.27 -44.64 96.07 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.939 -0.573 . . . . 26.16 110.315 179.539 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 15.1 mt -55.67 -53.48 56.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.843 -0.617 . . . . 27.420000000000002 110.598 179.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -50.0 -32.42 15.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 24.809999999999999 110.878 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -81.18 -29.29 34.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 26.780000000000001 110.673 179.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -77.71 -48.98 15.4 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.06 -0.518 . . . . 27.57 110.641 179.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 54.6 mm-40 -63.21 -39.55 94.95 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.83 -0.623 . . . . 20.859999999999999 110.491 179.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 63' ' ' SER . . . . . . . . . . . . . 55.6 p -66.38 -36.72 83.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.036 -0.529 . . . . 16.43 110.347 179.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -56.98 -44.28 82.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.077 -0.51 . . . . 18.460000000000001 110.474 179.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 65' ' ' LEU . . . . . . . . . . . . . 1.5 mt -59.19 -41.07 87.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.079 -0.51 . . . . 17.469999999999999 110.305 179.534 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 66' ' ' VAL . . . . . . . . . . . . . 61.9 t -69.72 -49.45 57.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.02 -0.537 . . . . 10.32 110.735 179.617 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 67' ' ' LYS . . . . . 0.414 ' CG ' ' HB2' ' D' ' 63' ' ' SER . 13.9 tttt -61.37 -41.34 96.93 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.193 -0.458 . . . . 19.489999999999998 110.291 179.556 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 68' ' ' LYS . . . . . . . . . . . . . 32.7 ttpt -64.77 -36.87 85.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.048 -0.524 . . . . 22.039999999999999 110.375 179.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 69' ' ' MET . . . . . . . . . . . . . 23.7 ttp -65.37 -39.42 92.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.038 -0.528 . . . . 8.1699999999999999 110.477 179.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 63.2 t -68.32 -45.07 83.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.082 -0.508 . . . . 5.7699999999999996 110.784 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 71' ' ' PHE . . . . . 0.433 ' O ' ' CB ' ' C' ' 75' ' ' LYS . 73.7 t80 -51.45 -62.65 1.49 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.444 -0.344 . . . . 14.970000000000001 110.538 179.707 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -50.74 -39.03 50.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 8.8900000000000006 110.566 179.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 73' ' ' THR . . . . . . . . . . . . . 18.9 m -68.47 -73.94 0.13 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.957 -0.565 . . . . 13.18 110.32 179.574 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 74' ' ' LEU . . . . . 0.425 ' CD1' ' CB ' ' D' ' 62' ' ' GLN . 19.1 mt -48.72 -34.83 12.77 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.188 -0.46 . . . . 19.640000000000001 111.023 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 75' ' ' LYS . . . . . 0.433 ' CB ' ' O ' ' C' ' 71' ' ' PHE . 6.9 tttt -54.4 -68.91 0.15 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.029 -0.532 . . . . 22.34 110.169 179.341 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 76' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -63.62 -29.44 70.68 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.681 -0.69 . . . . 14.52 110.826 179.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 77' ' ' LEU . . . . . 0.411 ' HB3' ' HA ' ' C' ' 74' ' ' LEU . 0.6 OUTLIER -66.04 -65.65 0.65 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.295 -0.411 . . . . 20.41 110.586 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' C' C ' 78' ' ' TYR . . . . . 0.437 ' CZ ' HG22 ' B' ' 73' ' ' THR . 22.7 m-30 -53.93 -27.26 29.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.38 -0.373 . . . . 25.07 110.767 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 12.7 mttt -67.41 -31.43 71.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 27.550000000000001 110.936 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -74.87 -27.77 60.39 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.201 -0.454 . . . . 28.82 110.975 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.231 0 CA-C-N 116.148 -0.478 . . . . 33.460000000000001 111.172 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.646 0.26 . . . . 35.859999999999999 111.04 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' D' D ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.45 -47.07 76.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.828 0.346 . . . . 34.960000000000001 110.977 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -62.09 -53.01 61.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 31.379999999999999 110.707 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 57' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.18 -36.62 61.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.49 . . . . 24.940000000000001 110.74 179.651 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 58' ' ' LEU . . . . . . . . . . . . . 4.7 mt -63.99 -58.41 6.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.043 -0.526 . . . . 20.620000000000001 110.884 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 59' ' ' ALA . . . . . . . . . . . . . . . -47.45 -35.25 8.31 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.974 -0.557 . . . . 17.77 110.939 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 60' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -60.6 -47.45 86.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.007 -0.542 . . . . 23.18 110.462 179.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 61' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -61.48 -36.93 81.83 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.155 -0.475 . . . . 16.219999999999999 110.353 179.523 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 62' ' ' GLN . . . . . 0.425 ' CB ' ' CD1' ' C' ' 74' ' ' LEU . 7.7 mm-40 -67.88 -49.72 60.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.007 -0.542 . . . . 16.190000000000001 110.347 179.415 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 63' ' ' SER . . . . . 0.414 ' HB2' ' CG ' ' C' ' 67' ' ' LYS . 0.2 OUTLIER -50.96 -67.43 0.25 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.885 -0.598 . . . . 14.539999999999999 110.959 179.874 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' D' D ' 64' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -45.77 -32.26 2.43 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.148 -0.478 . . . . 12.17 111.002 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.77 -41.69 78.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 7.3300000000000001 110.547 179.579 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 66' ' ' VAL . . . . . . . . . . . . . 35.0 t -66.44 -38.2 81.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.127 -0.488 . . . . 9.1400000000000006 111.303 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 67' ' ' LYS . . . . . . . . . . . . . 2.4 tttt -58.14 -51.88 67.88 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.235 -0.439 . . . . 20.210000000000001 111.051 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 68' ' ' LYS . . . . . . . . . . . . . 77.2 tttt -58.71 -32.12 68.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.37 -0.377 . . . . 18.559999999999999 110.84 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 69' ' ' MET . . . . . 0.402 ' CE ' ' HB3' ' B' ' 62' ' ' GLN . 21.8 ttp -71.37 -49.61 40.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 12.890000000000001 110.949 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 70' ' ' VAL . . . . . . . . . . . . . 51.8 t -76.92 -24.46 15.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 15.52 111.032 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -60.6 -52.17 66.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.268 -0.424 . . . . 26.059999999999999 110.652 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.17 -40.33 94.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 28.780000000000001 110.586 179.677 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 73' ' ' THR . . . . . . . . . . . . . 62.4 m -55.95 -55.21 35.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 20.829999999999998 110.701 179.684 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 74' ' ' LEU . . . . . . . . . . . . . 13.5 mt -58.1 -42.0 84.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.489 . . . . 22.02 110.899 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 75' ' ' LYS . . . . . . . . . . . . . 3.4 ttpt -49.57 -41.29 41.24 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.96 0.41 . . . . 28.859999999999999 110.658 179.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 76' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -77.92 -31.43 51.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.999 -0.546 . . . . 31.34 110.549 179.627 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 77' ' ' LEU . . . . . . . . . . . . . 18.6 mt -63.75 -41.43 98.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.921 -0.581 . . . . 30.789999999999999 110.832 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 78' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -84.46 -39.41 18.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.112 -0.494 . . . . 33.719999999999999 110.778 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 79' ' ' LYS . . . . . . . . . . . . . 11.3 tttm . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 40.369999999999997 110.907 179.932 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.131 0 CA-C-O 120.785 0.326 . . . . 35.729999999999997 110.794 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -68.04 -54.08 21.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.484 . . . . 31.309999999999999 110.578 179.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 46.2 ttp180 -60.94 -41.37 96.1 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.995 -0.548 . . . . 37.420000000000002 110.415 179.591 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 15.0 mt -58.95 -50.78 72.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.846 -0.615 . . . . 33.149999999999999 110.601 179.667 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.59 -32.87 30.34 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.109 -0.496 . . . . 23.52 110.875 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 30.3 t0 -76.36 -29.74 57.32 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.029 -0.532 . . . . 21.34 110.596 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -73.54 -51.79 15.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.067 -0.515 . . . . 21.350000000000001 110.612 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 30.8 mm-40 -54.85 -50.17 69.29 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.937 -0.574 . . . . 21.239999999999998 110.579 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 48.1 p -56.59 -41.59 77.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 18.68 110.525 179.661 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -60.02 -33.93 72.67 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.063 -0.517 . . . . 24.289999999999999 110.546 179.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 8.6 mt -68.96 -29.13 67.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.098 -0.501 . . . . 22.23 110.028 179.42 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 58.6 t -80.67 -46.45 21.22 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.283 0 CA-C-N 115.768 -0.651 . . . . 14.74 110.86 179.613 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.4 ptmt -59.86 -46.05 90.52 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.267 -0.424 . . . . 7.8499999999999996 110.38 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 16.4 ttpp -61.26 -38.39 86.52 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.061 -0.518 . . . . 18.239999999999998 110.317 179.504 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 24.7 ttp -64.82 -42.29 95.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.958 -0.565 . . . . 10.81 110.388 179.48 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 70.0 t -70.04 -42.17 79.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.094 -0.503 . . . . 10.18 110.679 179.65 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.418 ' O ' ' CB ' ' A' ' 75' ' ' LYS . 48.5 t80 -52.25 -60.6 3.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 21.460000000000001 110.426 179.753 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.17 -45.71 68.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.224 -0.443 . . . . 14.880000000000001 110.609 179.719 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 17.6 m -61.75 -71.64 0.14 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.187 -0.461 . . . . 8.5999999999999996 110.277 179.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.452 ' CD1' ' CB ' ' B' ' 62' ' ' GLN . 19.8 mt -49.68 -36.84 26.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.979 -0.555 . . . . 15.26 111.105 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.418 ' CB ' ' O ' ' A' ' 71' ' ' PHE . 9.2 ttpp -56.25 -68.04 0.25 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.192 0.52 . . . . 18.030000000000001 110.029 179.187 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -61.98 -29.27 70.14 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.467 -0.788 . . . . 18.98 111.005 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.402 ' HB3' ' HA ' ' A' ' 74' ' ' LEU . 0.7 OUTLIER -66.36 -54.97 18.3 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.43 -0.35 . . . . 21.109999999999999 110.576 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.479 ' CD1' ' CD1' ' D' ' 77' ' ' LEU . 20.9 m-85 -62.68 -21.56 65.82 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.371 -0.377 . . . . 29.699999999999999 110.809 179.562 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.61 -31.33 68.26 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.279 -0.419 . . . . 26.07 110.523 179.712 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 4.2 ttmt -66.79 -26.89 67.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.115 -0.493 . . . . 30.850000000000001 110.968 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.5 p . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.322 -0.399 . . . . 34.490000000000002 111.063 -179.857 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.756 0.312 . . . . 32.32 110.716 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 55' ' ' ALA . . . . . 0.434 ' HB2' ' CB ' ' A' ' 78' ' ' TYR . . . -56.78 -40.79 76.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 29.350000000000001 111.181 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -65.66 -49.37 68.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 33.280000000000001 110.886 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 6.5 mpt_? -51.16 -30.18 15.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 23.66 110.895 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . 0.434 ' O ' ' CG ' ' B' ' 62' ' ' GLN . 13.0 mt -77.37 -65.09 1.0 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 20.440000000000001 111.178 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -45.44 -27.67 0.75 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.997 -0.547 . . . . 21.420000000000002 111.349 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -71.9 -57.58 4.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 22.710000000000001 110.796 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -63.55 -25.54 68.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.316 -0.402 . . . . 14.69 110.795 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . 0.452 ' CB ' ' CD1' ' A' ' 74' ' ' LEU . 2.5 mm-40 -75.24 -39.0 60.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 11.51 110.904 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 2.8 p -69.04 -53.57 19.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.343 -0.389 . . . . 15.9 110.734 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.33 -35.69 51.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.105 -0.498 . . . . 13.66 110.669 179.688 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.13 -42.91 96.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 10.01 110.799 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 60.5 t -63.78 -42.19 95.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.242 -0.435 . . . . 8.1500000000000004 111.122 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 67' ' ' LYS . . . . . 0.424 ' O ' ' N ' ' B' ' 71' ' ' PHE . 13.0 tttt -54.15 -59.91 4.03 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.985 -0.552 . . . . 7.25 110.902 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 5.9 mttp -52.38 -32.87 40.69 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.206 -0.452 . . . . 15.57 111.074 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 69' ' ' MET . . . . . . . . . . . . . 44.0 ttp -72.76 -51.11 20.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.838 0.351 . . . . 12.220000000000001 110.982 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 64.6 t -75.9 -16.95 15.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 14.33 111.518 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.424 ' N ' ' O ' ' B' ' 67' ' ' LYS . 40.6 t80 -68.3 -54.07 20.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.888 0.375 . . . . 18.34 110.732 179.751 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -61.85 -43.37 98.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.082 -0.508 . . . . 26.550000000000001 110.809 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 73' ' ' THR . . . . . . . . . . . . . 52.5 m -53.96 -48.0 70.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 25.34 111.096 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 24.6 mt -59.69 -39.6 85.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.467 . . . . 25.16 110.845 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 2.0 tptp -50.87 -46.27 60.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.356 -0.384 . . . . 26.039999999999999 110.537 179.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.0 -25.32 60.94 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.904 -0.589 . . . . 27.760000000000002 110.675 179.526 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . 0.508 ' CD1' ' CD1' ' C' ' 78' ' ' TYR . 26.3 mt -72.46 -50.5 25.69 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.029 -0.532 . . . . 29.129999999999999 111.143 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -69.18 -57.53 5.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 31.440000000000001 111.497 -179.536 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.367 -0.379 . . . . 43.380000000000003 111.22 -179.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.118 0 CA-C-O 120.825 0.345 . . . . 33.409999999999997 110.802 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -67.92 -54.15 20.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 30.010000000000002 110.606 179.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 57' ' ' ARG . . . . . . . . . . . . . 46.1 ttp180 -61.0 -41.33 96.31 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.98 -0.555 . . . . 31.140000000000001 110.416 179.615 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 15.0 mt -59.02 -50.75 72.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.892 -0.594 . . . . 26.699999999999999 110.58 179.69 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.59 -32.85 30.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.092 -0.504 . . . . 24.190000000000001 110.832 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -76.37 -30.02 57.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 27.73 110.502 179.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -73.29 -51.72 16.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.499 . . . . 27.760000000000002 110.622 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 -54.82 -50.42 68.61 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.989 -0.551 . . . . 23.260000000000002 110.552 179.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 63' ' ' SER . . . . . . . . . . . . . 44.6 p -56.35 -41.39 76.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.482 . . . . 16.719999999999999 110.555 179.683 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -60.31 -33.78 72.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.087 -0.506 . . . . 21.079999999999998 110.485 179.654 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 65' ' ' LEU . . . . . . . . . . . . . 8.5 mt -69.19 -29.03 66.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.078 0.466 . . . . 15.34 110.029 179.423 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 66' ' ' VAL . . . . . . . . . . . . . 58.9 t -80.68 -46.35 21.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.775 -0.648 . . . . 11.85 110.927 179.562 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 67' ' ' LYS . . . . . 0.431 ' HD2' ' CD ' ' D' ' 67' ' ' LYS . 7.6 ptmt -60.0 -45.94 91.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.224 -0.444 . . . . 20.77 110.491 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 68' ' ' LYS . . . . . . . . . . . . . 16.5 ttpp -61.19 -38.37 86.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.03 -0.532 . . . . 17.59 110.239 179.379 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 69' ' ' MET . . . . . . . . . . . . . 24.2 ttp -65.14 -42.07 94.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.994 -0.548 . . . . 7.21 110.414 179.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 61.5 t -70.16 -41.93 79.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.01 -0.541 . . . . 6.7800000000000002 110.665 179.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 71' ' ' PHE . . . . . 0.42 ' O ' ' CB ' ' C' ' 75' ' ' LYS . 48.6 t80 -52.55 -60.8 2.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.246 -0.434 . . . . 9.6400000000000006 110.387 179.625 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.98 -45.73 67.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 9.0800000000000001 110.574 179.697 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 73' ' ' THR . . . . . . . . . . . . . 17.8 m -61.9 -71.25 0.16 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.21 -0.45 . . . . 14.539999999999999 110.323 179.617 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 74' ' ' LEU . . . . . 0.405 ' HB3' ' CE2' ' C' ' 78' ' ' TYR . 20.9 mt -49.88 -37.13 29.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.094 -0.503 . . . . 18.739999999999998 111.086 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 75' ' ' LYS . . . . . 0.42 ' CB ' ' O ' ' C' ' 71' ' ' PHE . 9.2 ttpp -56.07 -68.02 0.24 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.158 0.504 . . . . 20.16 109.975 179.303 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 76' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -61.99 -29.48 70.28 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.493 -0.776 . . . . 14.300000000000001 110.994 179.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.1 -55.08 18.26 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.48 -0.327 . . . . 19.949999999999999 110.541 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 78' ' ' TYR . . . . . 0.508 ' CD1' ' CD1' ' B' ' 77' ' ' LEU . 20.9 m-85 -62.43 -21.92 65.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.393 -0.367 . . . . 24.239999999999998 110.762 179.613 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.37 -31.13 68.25 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.296 -0.411 . . . . 28.809999999999999 110.615 179.66 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 4.2 ttmt -67.12 -26.7 66.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 27.780000000000001 111.014 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 81' ' ' THR . . . . . . . . . . . . . 2.6 p . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.306 -0.407 . . . . 33.740000000000002 110.999 -179.888 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.815 0.34 . . . . 35.670000000000002 110.771 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' D' D ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.72 -40.61 75.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 35.310000000000002 111.229 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -65.77 -49.26 68.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 31.760000000000002 110.929 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 57' ' ' ARG . . . . . . . . . . . . . 6.5 mpt_? -50.98 -30.29 14.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.144 -0.48 . . . . 34.140000000000001 110.965 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 58' ' ' LEU . . . . . 0.433 ' O ' ' CG ' ' D' ' 62' ' ' GLN . 12.8 mt -77.53 -65.13 1.0 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 21.059999999999999 111.076 -179.769 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 59' ' ' ALA . . . . . . . . . . . . . . . -45.29 -27.92 0.73 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.063 -0.517 . . . . 17.760000000000002 111.312 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 60' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -71.61 -57.3 4.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.132 -0.486 . . . . 20.859999999999999 110.852 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 61' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -63.94 -25.46 68.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 14.869999999999999 110.819 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 62' ' ' GLN . . . . . 0.433 ' CG ' ' O ' ' D' ' 58' ' ' LEU . 2.5 mm-40 -75.24 -39.08 60.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.491 . . . . 15.57 110.833 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 63' ' ' SER . . . . . . . . . . . . . 2.6 p -69.07 -53.59 19.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.318 -0.401 . . . . 15.98 110.727 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.24 -35.78 50.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 14.050000000000001 110.613 179.736 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 65' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.95 -43.46 95.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.058 -0.519 . . . . 8.0600000000000005 110.802 179.749 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 66' ' ' VAL . . . . . . . . . . . . . 60.1 t -63.26 -42.14 95.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.951 0.405 . . . . 9.0399999999999991 111.179 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 67' ' ' LYS . . . . . 0.431 ' CD ' ' HD2' ' C' ' 67' ' ' LYS . 13.4 tttt -54.12 -60.11 3.76 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.97 -0.559 . . . . 21.68 110.964 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 68' ' ' LYS . . . . . . . . . . . . . 5.9 mttp -52.1 -32.87 37.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.284 -0.416 . . . . 18.010000000000002 111.12 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 69' ' ' MET . . . . . . . . . . . . . 43.9 ttp -72.79 -51.26 19.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.372 -0.376 . . . . 12.539999999999999 110.97 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 70' ' ' VAL . . . . . 0.401 HG21 HD13 ' A' ' 74' ' ' LEU . 61.4 t -75.69 -17.01 15.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 14.65 111.491 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 71' ' ' PHE . . . . . 0.404 ' N ' ' O ' ' D' ' 67' ' ' LYS . 41.3 t80 -68.29 -54.39 17.84 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.896 0.379 . . . . 24.969999999999999 110.691 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -61.75 -43.04 99.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 27.489999999999998 110.8 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 73' ' ' THR . . . . . . . . . . . . . 51.9 m -54.25 -47.84 71.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.202 -0.453 . . . . 20.539999999999999 110.975 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 74' ' ' LEU . . . . . . . . . . . . . 25.0 mt -59.78 -39.42 84.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 23.609999999999999 110.844 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 75' ' ' LYS . . . . . . . . . . . . . 2.0 tptp -51.09 -46.14 61.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.964 0.411 . . . . 31.300000000000001 110.586 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 76' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.11 -25.19 60.77 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.835 -0.62 . . . . 31.34 110.702 179.587 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 77' ' ' LEU . . . . . 0.479 ' CD1' ' CD1' ' A' ' 78' ' ' TYR . 26.8 mt -72.62 -50.64 23.88 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.06 -0.518 . . . . 30.039999999999999 111.169 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 78' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -68.94 -57.55 5.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.104 -0.498 . . . . 33.68 111.37 -179.58 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.404 -0.362 . . . . 38.140000000000001 111.22 -179.666 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.143 0 CA-C-O 120.768 0.318 . . . . 31.789999999999999 110.872 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -67.64 -53.22 29.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.993 0.425 . . . . 28.32 110.45 179.63 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 1.5 ttp180 -59.55 -47.43 85.59 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.88 -0.6 . . . . 28.66 110.349 179.468 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 15.0 mt -53.68 -49.83 67.16 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.691 -0.686 . . . . 30.739999999999998 110.767 179.637 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.4 ' HA ' HD11 ' B' ' 74' ' ' LEU . . . -52.07 -41.43 62.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 26.09 110.806 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -73.97 -37.18 64.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.002 -0.545 . . . . 26.260000000000002 110.665 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -66.79 -44.41 81.35 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.129 -0.487 . . . . 25.57 110.736 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -68.83 -37.29 79.08 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.061 -0.518 . . . . 19.77 110.494 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 33.2 p -68.43 -35.66 77.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.006 -0.543 . . . . 16.420000000000002 110.666 179.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.87 -43.69 98.33 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.241 -0.436 . . . . 18.210000000000001 110.657 179.766 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 9.5 mt -57.71 -42.63 84.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.07 -0.513 . . . . 18.379999999999999 110.632 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 48.9 t -67.45 -47.1 81.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 10.69 110.982 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 53.2 tttt -56.86 -59.98 4.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.439 . . . . 18.879999999999999 110.367 179.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 4.9 ttmt -54.13 -33.25 57.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 23.629999999999999 110.071 179.414 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 7.8 tmm? -66.66 -44.5 81.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.86 -0.609 . . . . 9.4499999999999993 110.212 179.506 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 66.0 t -68.66 -35.86 71.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.102 -0.499 . . . . 6.4900000000000002 110.491 179.494 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.476 ' CZ ' ' HD3' ' A' ' 75' ' ' LYS . 64.2 t80 -54.7 -58.71 6.45 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.068 -0.514 . . . . 18.780000000000001 110.216 179.614 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -53.27 -49.45 66.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.253 -0.431 . . . . 11.220000000000001 110.7 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 17.6 m -60.04 -69.68 0.2 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.269 -0.423 . . . . 11.52 110.3 179.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.467 ' CD1' ' HB2' ' B' ' 62' ' ' GLN . 16.6 mt -50.57 -36.37 34.36 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.996 -0.547 . . . . 19.039999999999999 111.211 -179.834 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.476 ' HD3' ' CZ ' ' A' ' 71' ' ' PHE . 7.6 ttpp -55.5 -69.35 0.14 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.094 0.473 . . . . 22.84 110.171 179.534 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.65 -26.73 68.19 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.635 -0.711 . . . . 16.620000000000001 110.878 179.801 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.415 ' HB3' ' HA ' ' A' ' 74' ' ' LEU . 0.5 OUTLIER -67.83 -59.72 3.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.311 -0.404 . . . . 20.640000000000001 110.582 179.909 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.41 ' CD1' ' CD1' ' D' ' 77' ' ' LEU . 18.9 m-85 -59.18 -24.0 62.71 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.818 0.342 . . . . 26.149999999999999 110.671 179.678 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 7.0 mmtt -68.06 -34.17 75.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 27.780000000000001 110.591 179.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 18.9 tttt -69.53 -29.28 66.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.492 . . . . 30.579999999999998 110.974 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 34.439999999999998 111.051 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.785 0.326 . . . . 34.159999999999997 110.762 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -54.47 -38.13 66.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 33.82 110.97 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.72 -45.32 52.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.042 -0.526 . . . . 31.030000000000001 110.792 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -53.8 -36.14 62.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 27.0 110.962 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . 0.417 ' O ' ' N ' ' B' ' 61' ' ' GLU . 17.1 mt -74.2 -58.52 3.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 19.09 110.953 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -42.9 -30.12 0.38 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.063 -0.517 . . . . 19.09 111.117 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 40.1 t0 -85.11 -36.63 21.02 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.876 -0.602 . . . . 23.75 110.831 179.641 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 61' ' ' GLU . . . . . 0.417 ' N ' ' O ' ' B' ' 58' ' ' LEU . 12.6 tp10 -71.69 -47.94 50.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.053 0.454 . . . . 16.699999999999999 110.572 179.693 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . 0.467 ' HB2' ' CD1' ' A' ' 74' ' ' LEU . 2.0 mm-40 -68.95 -35.29 76.59 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.051 -0.522 . . . . 15.51 111.145 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 65.5 p -66.11 -54.94 19.38 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.696 0.284 . . . . 14.210000000000001 110.83 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . 0.442 ' HG3' ' N ' ' B' ' 65' ' ' LEU . 0.4 OUTLIER -52.15 -30.01 24.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.95 0.405 . . . . 8.6799999999999997 110.586 179.703 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . 0.442 ' N ' ' HG3' ' B' ' 64' ' ' GLU . 0.1 OUTLIER -67.26 -37.03 82.82 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.07 -0.514 . . . . 7.0499999999999998 110.805 179.661 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 3.5 t -67.24 -34.38 68.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 7.5999999999999996 111.113 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 2.7 ttpt -61.18 -62.29 1.95 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.204 -0.453 . . . . 17.260000000000002 110.899 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 9.3 ptmt -55.0 -26.65 38.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.881 0.372 . . . . 17.82 110.537 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 69' ' ' MET . . . . . 0.434 ' CE ' ' HB3' ' D' ' 62' ' ' GLN . 41.4 ttp -73.33 -53.29 11.14 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.154 -0.475 . . . . 13.109999999999999 110.793 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 66.4 t -76.65 -21.49 14.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 15.630000000000001 111.116 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 25.0 t80 -64.51 -45.15 88.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.93 0.395 . . . . 26.359999999999999 110.319 179.605 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -68.28 -41.77 80.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.017 -0.538 . . . . 28.800000000000001 110.463 179.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 73' ' ' THR . . . . . . . . . . . . . 29.0 m -56.85 -53.03 62.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.488 . . . . 22.149999999999999 110.759 179.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 74' ' ' LEU . . . . . 0.4 HD11 ' HA ' ' A' ' 59' ' ' ALA . 16.1 mt -57.02 -40.38 76.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.126 -0.488 . . . . 21.190000000000001 110.693 179.727 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 15.4 ttpp -49.55 -44.72 46.87 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.159 -0.473 . . . . 27.050000000000001 110.654 179.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -73.42 -37.93 65.72 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.816 -0.629 . . . . 31.449999999999999 110.299 179.536 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 11.3 mt -54.47 -51.44 65.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.005 -0.543 . . . . 30.960000000000001 110.514 179.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 48.4 m-85 -73.91 -37.98 64.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.1 -0.5 . . . . 33.020000000000003 110.823 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 7.9 ttmm . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 42.299999999999997 110.76 179.963 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.164 0 CA-C-O 120.785 0.326 . . . . 36.020000000000003 110.907 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -67.71 -52.8 33.46 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.317 -0.401 . . . . 31.77 110.461 179.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 57' ' ' ARG . . . . . . . . . . . . . 1.5 ttp180 -59.99 -47.17 86.95 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.928 -0.578 . . . . 40.170000000000002 110.286 179.527 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 14.8 mt -53.72 -50.06 66.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.683 -0.689 . . . . 28.27 110.766 179.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.88 -41.52 61.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.134 -0.485 . . . . 20.539999999999999 110.887 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -73.92 -37.09 64.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.093 -0.503 . . . . 20.629999999999999 110.757 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -66.87 -44.27 81.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 22.23 110.781 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -68.88 -37.48 79.07 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.058 -0.519 . . . . 25.34 110.515 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 63' ' ' SER . . . . . . . . . . . . . 34.4 p -68.29 -35.73 78.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.985 -0.552 . . . . 18.260000000000002 110.617 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.95 -43.48 98.75 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.239 -0.437 . . . . 26.640000000000001 110.631 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 65' ' ' LEU . . . . . . . . . . . . . 9.5 mt -57.99 -42.47 85.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.09 -0.504 . . . . 19.77 110.69 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 66' ' ' VAL . . . . . . . . . . . . . 50.1 t -67.47 -47.23 81.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.12 -0.491 . . . . 16.710000000000001 110.945 179.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 67' ' ' LYS . . . . . . . . . . . . . 53.5 tttt -56.67 -60.33 3.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.274 -0.421 . . . . 11.84 110.346 179.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 68' ' ' LYS . . . . . . . . . . . . . 4.9 ttmt -53.9 -33.27 56.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 13.390000000000001 110.147 179.401 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 69' ' ' MET . . . . . . . . . . . . . 7.6 tmm? -66.55 -44.55 82.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.84 -0.618 . . . . 9.4700000000000006 110.223 179.535 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 71.6 t -68.58 -36.22 73.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.063 -0.517 . . . . 10.41 110.471 179.535 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 71' ' ' PHE . . . . . 0.471 ' CZ ' ' HD3' ' C' ' 75' ' ' LYS . 64.6 t80 -54.14 -58.89 5.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.055 -0.521 . . . . 15.01 110.273 179.621 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -53.1 -49.51 66.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 12.9 110.669 179.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 73' ' ' THR . . . . . . . . . . . . . 17.7 m -60.16 -69.47 0.22 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.311 -0.404 . . . . 11.68 110.37 179.671 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 74' ' ' LEU . . . . . 0.468 ' CD1' ' HB2' ' D' ' 62' ' ' GLN . 16.2 mt -50.82 -36.37 37.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.063 -0.517 . . . . 14.65 111.092 -179.784 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 75' ' ' LYS . . . . . 0.471 ' HD3' ' CZ ' ' C' ' 71' ' ' PHE . 7.6 ttpp -55.45 -69.4 0.14 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.093 0.473 . . . . 13.75 110.229 179.497 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 76' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.37 -26.98 68.19 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.692 -0.685 . . . . 17.149999999999999 110.923 179.663 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 77' ' ' LEU . . . . . 0.42 ' HB3' ' HA ' ' C' ' 74' ' ' LEU . 0.5 OUTLIER -67.72 -59.89 2.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.304 -0.407 . . . . 21.18 110.615 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' C' C ' 78' ' ' TYR . . . . . . . . . . . . . 19.1 m-85 -59.22 -23.51 62.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.492 -0.322 . . . . 26.82 110.619 179.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 6.9 mmtt -68.47 -34.04 75.23 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.307 -0.406 . . . . 29.469999999999999 110.65 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 19.0 tttt -69.54 -29.39 66.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.045 -0.525 . . . . 27.829999999999998 110.891 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 35.609999999999999 111.089 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.827 0.346 . . . . 34.030000000000001 110.75 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 55' ' ' ALA . . . . . . . . . . . . . . . -54.55 -38.28 66.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.479 . . . . 30.800000000000001 110.853 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.58 -45.2 54.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 32.090000000000003 110.786 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 57' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -54.04 -35.87 62.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.485 . . . . 29.52 110.888 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 58' ' ' LEU . . . . . 0.41 ' O ' ' N ' ' D' ' 61' ' ' GLU . 17.6 mt -74.41 -58.59 3.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 22.68 110.904 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 59' ' ' ALA . . . . . . . . . . . . . . . -42.92 -30.02 0.37 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.042 -0.526 . . . . 21.300000000000001 111.109 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 60' ' ' ASP . . . . . . . . . . . . . 40.1 t0 -85.22 -36.56 20.88 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.907 -0.588 . . . . 18.199999999999999 110.863 179.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 61' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' D' ' 58' ' ' LEU . 12.6 tp10 -71.68 -47.95 50.76 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.185 -0.461 . . . . 12.82 110.581 179.564 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 62' ' ' GLN . . . . . 0.468 ' HB2' ' CD1' ' C' ' 74' ' ' LEU . 1.9 mm-40 -69.03 -35.35 76.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.056 -0.52 . . . . 10.949999999999999 111.154 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 63' ' ' SER . . . . . . . . . . . . . 65.4 p -65.99 -54.94 19.67 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.712 0.292 . . . . 16.640000000000001 110.798 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 64' ' ' GLU . . . . . 0.445 ' HG3' ' N ' ' D' ' 65' ' ' LEU . 0.4 OUTLIER -52.28 -29.87 25.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.871 0.367 . . . . 17.219999999999999 110.594 179.695 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' D' D ' 65' ' ' LEU . . . . . 0.445 ' N ' ' HG3' ' D' ' 64' ' ' GLU . 0.1 OUTLIER -67.51 -36.91 81.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.109 -0.496 . . . . 11.18 110.712 179.78 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' D' D ' 66' ' ' VAL . . . . . . . . . . . . . 3.6 t -67.33 -34.44 68.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.197 -0.456 . . . . 10.48 111.087 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 67' ' ' LYS . . . . . . . . . . . . . 2.6 ttpt -61.31 -61.97 2.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 16.210000000000001 110.934 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 68' ' ' LYS . . . . . . . . . . . . . 9.2 ptmt -55.21 -26.67 40.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.829 0.347 . . . . 10.199999999999999 110.49 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 69' ' ' MET . . . . . 0.437 ' CE ' ' HB3' ' B' ' 62' ' ' GLN . 41.7 ttp -73.45 -53.15 11.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.068 -0.514 . . . . 10.949999999999999 110.774 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 70' ' ' VAL . . . . . . . . . . . . . 67.8 t -76.72 -21.33 14.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 10.75 111.145 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 25.6 t80 -64.87 -44.71 88.79 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.351 -0.386 . . . . 17.989999999999998 110.42 179.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -68.54 -41.6 79.65 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.084 -0.507 . . . . 23.510000000000002 110.448 179.506 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 73' ' ' THR . . . . . . . . . . . . . 29.1 m -56.98 -53.14 61.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.09 -0.505 . . . . 23.440000000000001 110.629 179.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 74' ' ' LEU . . . . . . . . . . . . . 16.4 mt -56.99 -40.47 76.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 27.219999999999999 110.57 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 75' ' ' LYS . . . . . . . . . . . . . 15.4 ttpp -49.44 -44.82 45.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 29.609999999999999 110.563 179.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 76' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -73.2 -38.14 66.21 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.903 -0.589 . . . . 28.649999999999999 110.413 179.466 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 77' ' ' LEU . . . . . 0.41 ' CD1' ' CD1' ' A' ' 78' ' ' TYR . 11.4 mt -54.39 -51.12 65.84 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.94 -0.573 . . . . 28.73 110.675 179.663 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 78' ' ' TYR . . . . . . . . . . . . . 47.3 m-85 -74.05 -38.2 64.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.052 -0.522 . . . . 34.350000000000001 110.777 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 79' ' ' LYS . . . . . . . . . . . . . 8.0 ttmm . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.058 -0.519 . . . . 44.399999999999999 110.8 179.927 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.169 0 CA-C-O 120.813 0.339 . . . . 35.32 111.121 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -64.86 -56.61 12.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 30.789999999999999 110.89 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.439 ' HG3' ' N ' ' A' ' 58' ' ' LEU . 3.4 ptt180 -66.89 -48.37 68.92 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.92 -0.582 . . . . 40.359999999999999 110.444 179.812 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.439 ' N ' ' HG3' ' A' ' 57' ' ' ARG . 0.3 OUTLIER -51.38 -43.82 62.0 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.738 -0.665 . . . . 29.390000000000001 110.396 179.344 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.19 -40.67 82.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.014 -0.539 . . . . 21.149999999999999 111.009 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -55.29 -40.2 70.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.039 -0.528 . . . . 19.190000000000001 110.836 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.74 -58.53 7.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 21.34 110.838 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.414 ' OE1' ' N ' ' A' ' 62' ' ' GLN . 6.2 mp0 -51.0 -52.68 40.41 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.99 -0.55 . . . . 24.370000000000001 110.761 179.82 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 96.7 p -55.25 -30.4 59.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.121 -0.491 . . . . 19.82 110.834 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 54.8 tt0 -67.78 -50.46 56.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 26.32 110.764 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.7 mt -53.47 -39.54 64.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 20.969999999999999 110.719 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 59.1 t -69.05 -44.25 81.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.068 -0.515 . . . . 16.440000000000001 110.921 179.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 19.0 tttt -61.0 -51.28 69.89 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.052 -0.522 . . . . 9.8800000000000008 110.629 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.2 ttpt -56.63 -29.41 62.18 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.195 -0.457 . . . . 15.470000000000001 110.389 179.588 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 50.2 ttp -70.0 -42.41 73.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.988 -0.551 . . . . 9.8800000000000008 110.596 179.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 59.6 t -70.12 -42.87 79.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.082 -0.508 . . . . 10.529999999999999 110.763 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 46.3 t80 -50.61 -61.6 2.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.462 -0.335 . . . . 16.710000000000001 110.514 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -50.72 -45.14 58.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.351 -0.386 . . . . 14.26 110.517 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.1 m -62.3 -72.44 0.13 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.035 -0.529 . . . . 10.51 110.219 179.494 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.476 ' CD1' ' CB ' ' B' ' 62' ' ' GLN . 12.7 mt -49.53 -34.29 16.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.102 -0.499 . . . . 14.48 111.078 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.3 ttpt -54.18 -67.6 0.25 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.104 -0.498 . . . . 14.949999999999999 110.301 179.697 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -64.71 -31.17 72.27 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.739 -0.664 . . . . 18.309999999999999 111.089 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.412 ' HB3' ' HA ' ' A' ' 74' ' ' LEU . 0.9 OUTLIER -65.07 -57.53 8.39 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.348 -0.387 . . . . 21.59 110.824 -179.854 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 22.1 m-30 -61.23 -22.78 65.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.373 -0.376 . . . . 27.82 110.929 179.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -71.48 -32.39 68.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.374 -0.375 . . . . 26.280000000000001 110.588 179.793 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.4 -39.69 85.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 30.440000000000001 110.85 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.18 -0.464 . . . . 35.590000000000003 110.877 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.847 0.356 . . . . 33.68 110.662 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.1 -45.08 83.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.089 -0.505 . . . . 30.489999999999998 110.892 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -64.68 -56.07 16.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.015 -0.539 . . . . 34.219999999999999 110.691 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 28.8 mtt-85 -52.01 -28.62 17.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 28.16 110.478 179.672 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 14.9 mt -71.05 -60.05 2.45 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.976 -0.556 . . . . 22.550000000000001 110.621 179.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -49.29 -38.05 26.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.904 -0.589 . . . . 21.899999999999999 110.901 179.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -59.09 -45.19 91.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.071 -0.513 . . . . 19.68 110.451 179.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -62.02 -40.83 97.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.091 -0.504 . . . . 13.279999999999999 110.446 179.602 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . 0.476 ' CB ' ' CD1' ' A' ' 74' ' ' LEU . 2.4 mm-40 -66.39 -46.3 77.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.026 -0.534 . . . . 10.91 110.505 179.629 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 1.4 m -55.7 -65.02 0.67 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.015 -0.539 . . . . 16.719999999999999 110.805 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . 0.43 ' HG3' ' N ' ' B' ' 65' ' ' LEU . 1.3 pt-20 -49.43 -30.52 8.11 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.253 -0.431 . . . . 17.039999999999999 110.861 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . 0.43 ' N ' ' HG3' ' B' ' 64' ' ' GLU . 0.2 OUTLIER -72.19 -42.79 65.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 11.800000000000001 110.546 179.717 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 19.0 t -63.79 -34.28 67.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.123 -0.49 . . . . 8.7200000000000006 110.991 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 12.6 ttpt -64.11 -51.81 62.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 13.199999999999999 110.802 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.7 -32.03 68.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.284 -0.416 . . . . 10.220000000000001 110.706 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 69' ' ' MET . . . . . 0.408 ' CE ' ' HB3' ' D' ' 62' ' ' GLN . 29.2 ttp -71.5 -50.59 29.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 11.07 110.79 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 93.0 t -75.59 -23.18 16.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.098 -0.501 . . . . 10.99 111.06 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -63.47 -44.19 95.16 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.294 -0.412 . . . . 17.780000000000001 110.668 179.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 43.6 t0 -69.94 -41.14 74.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 23.390000000000001 110.683 179.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 73' ' ' THR . . . . . . . . . . . . . 99.4 m -54.6 -59.08 5.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 24.420000000000002 110.836 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 72.8 mt -50.6 -38.44 45.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 27.059999999999999 110.805 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 44.9 tttm -52.93 -51.81 60.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.032 0.444 . . . . 30.289999999999999 110.628 179.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -68.49 -32.4 72.35 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.858 -0.61 . . . . 28.23 110.672 179.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 20.7 mt -61.74 -44.99 95.83 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.054 -0.521 . . . . 28.77 110.579 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -84.12 -27.33 28.25 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.006 -0.543 . . . . 34.060000000000002 110.747 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.058 -0.519 . . . . 44.380000000000003 110.738 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.111 0 CA-C-O 120.843 0.354 . . . . 30.780000000000001 111.141 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -64.97 -56.44 13.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 27.440000000000001 110.949 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 57' ' ' ARG . . . . . 0.433 ' HG3' ' N ' ' C' ' 58' ' ' LEU . 3.4 ptt180 -67.12 -48.16 68.94 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.954 -0.566 . . . . 27.93 110.362 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 58' ' ' LEU . . . . . 0.433 ' N ' ' HG3' ' C' ' 57' ' ' ARG . 0.3 OUTLIER -51.53 -43.72 62.39 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.748 -0.66 . . . . 28.690000000000001 110.396 179.417 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.35 -40.67 82.8 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.998 -0.546 . . . . 25.859999999999999 110.975 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -55.15 -40.21 70.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.108 -0.497 . . . . 27.120000000000001 110.9 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.59 -58.71 7.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 28.149999999999999 110.893 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 62' ' ' GLN . . . . . 0.413 ' OE1' ' N ' ' C' ' 62' ' ' GLN . 6.2 mp0 -50.96 -52.59 40.98 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.951 -0.568 . . . . 20.68 110.755 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 63' ' ' SER . . . . . . . . . . . . . 98.6 p -55.24 -30.57 60.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.081 -0.509 . . . . 16.460000000000001 110.762 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 54.6 tt0 -67.72 -50.28 58.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 18.59 110.816 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 65' ' ' LEU . . . . . . . . . . . . . 3.7 mt -53.61 -39.7 65.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 17.420000000000002 110.637 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 66' ' ' VAL . . . . . . . . . . . . . 55.1 t -69.09 -44.01 81.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 10.31 110.951 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 67' ' ' LYS . . . . . . . . . . . . . 18.9 tttt -61.14 -51.17 70.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.996 -0.547 . . . . 20.18 110.561 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 68' ' ' LYS . . . . . . . . . . . . . 1.2 ttpt -56.73 -29.55 62.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.291 -0.413 . . . . 23.25 110.371 179.627 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 69' ' ' MET . . . . . . . . . . . . . 50.6 ttp -69.76 -42.5 73.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.958 -0.565 . . . . 8.5700000000000003 110.646 179.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 63.5 t -70.09 -42.99 79.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.139 -0.482 . . . . 5.1799999999999997 110.762 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 71' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -50.47 -61.44 2.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.462 -0.336 . . . . 16.030000000000001 110.604 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -50.84 -45.08 59.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.346 -0.388 . . . . 9.1799999999999997 110.529 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 73' ' ' THR . . . . . . . . . . . . . 18.1 m -62.32 -72.46 0.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.067 -0.515 . . . . 12.93 110.314 179.465 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 74' ' ' LEU . . . . . 0.481 ' CD1' ' CB ' ' D' ' 62' ' ' GLN . 13.2 mt -49.7 -34.14 17.9 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.154 -0.475 . . . . 19.640000000000001 111.006 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 75' ' ' LYS . . . . . . . . . . . . . 2.3 ttpt -54.18 -67.58 0.25 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.19 -0.459 . . . . 20.600000000000001 110.283 179.632 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 76' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -64.78 -31.18 72.29 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.736 -0.666 . . . . 15.449999999999999 111.072 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.15 -57.32 8.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.355 -0.384 . . . . 20.52 110.804 -179.832 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 78' ' ' TYR . . . . . . . . . . . . . 22.1 m-30 -61.33 -22.87 65.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.361 -0.381 . . . . 25.890000000000001 110.902 179.704 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -71.54 -32.02 67.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.388 -0.369 . . . . 27.309999999999999 110.601 179.829 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.55 -39.95 84.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.276 -0.42 . . . . 30.329999999999998 110.834 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 81' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.067 -0.515 . . . . 34.189999999999998 110.939 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.457 -0.076 0 CA-C-O 120.843 0.354 . . . . 35.090000000000003 110.662 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.09 -45.0 83.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.065 -0.516 . . . . 35.159999999999997 110.895 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -64.83 -56.1 15.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.016 -0.538 . . . . 31.949999999999999 110.635 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 57' ' ' ARG . . . . . . . . . . . . . 29.7 mtt-85 -51.96 -28.72 17.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 27.530000000000001 110.489 179.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 58' ' ' LEU . . . . . . . . . . . . . 14.8 mt -70.96 -59.93 2.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.944 -0.571 . . . . 20.07 110.555 179.683 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 59' ' ' ALA . . . . . . . . . . . . . . . -49.47 -37.95 28.09 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.873 -0.603 . . . . 18.370000000000001 110.889 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 60' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -59.21 -45.04 92.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.045 -0.525 . . . . 23.210000000000001 110.58 179.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 61' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -62.1 -40.98 97.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.064 -0.516 . . . . 16.510000000000002 110.451 179.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 62' ' ' GLN . . . . . 0.481 ' CB ' ' CD1' ' C' ' 74' ' ' LEU . 2.6 mm-40 -66.22 -46.4 77.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.95 -0.568 . . . . 15.789999999999999 110.512 179.647 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 63' ' ' SER . . . . . . . . . . . . . 1.4 m -55.69 -64.7 0.77 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.949 -0.569 . . . . 14.720000000000001 110.885 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 64' ' ' GLU . . . . . 0.434 ' HG3' ' N ' ' D' ' 65' ' ' LEU . 1.3 pt-20 -49.61 -30.67 9.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.285 -0.416 . . . . 10.31 110.712 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 65' ' ' LEU . . . . . 0.434 ' N ' ' HG3' ' D' ' 64' ' ' GLU . 0.2 OUTLIER -71.93 -42.7 66.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.118 -0.492 . . . . 6.4100000000000001 110.533 179.688 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' D' D ' 66' ' ' VAL . . . . . . . . . . . . . 18.9 t -63.88 -34.21 66.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 8.9399999999999995 111.049 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 67' ' ' LYS . . . . . . . . . . . . . 12.6 ttpt -64.29 -51.69 62.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.098 -0.501 . . . . 20.120000000000001 110.806 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.85 -31.97 69.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.424 . . . . 19.649999999999999 110.805 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 69' ' ' MET . . . . . 0.429 ' CE ' ' HB3' ' B' ' 62' ' ' GLN . 30.1 ttp -71.65 -50.36 31.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.059 -0.519 . . . . 12.83 110.795 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 70' ' ' VAL . . . . . . . . . . . . . 91.8 t -75.77 -23.23 16.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.054 -0.521 . . . . 15.35 111.044 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -63.42 -44.15 95.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.313 -0.403 . . . . 26.260000000000002 110.635 179.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 43.9 t0 -69.94 -40.95 75.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.106 -0.497 . . . . 28.140000000000001 110.751 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 73' ' ' THR . . . . . . . . . . . . . 99.4 m -54.86 -59.14 5.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.131 -0.486 . . . . 21.030000000000001 110.799 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 74' ' ' LEU . . . . . . . . . . . . . 72.7 mt -50.27 -38.78 42.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.434 . . . . 21.289999999999999 110.786 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 75' ' ' LYS . . . . . . . . . . . . . 44.9 tttm -52.64 -51.98 57.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 27.859999999999999 110.652 179.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 76' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -68.5 -32.33 72.23 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.876 -0.602 . . . . 31.219999999999999 110.605 179.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 77' ' ' LEU . . . . . . . . . . . . . 20.3 mt -61.77 -44.79 96.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 30.800000000000001 110.581 179.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 78' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -84.45 -27.16 27.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.036 -0.529 . . . . 33.439999999999998 110.647 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 79' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 40.700000000000003 110.794 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.4 ' CB ' ' HB3' ' B' ' 78' ' ' TYR . . . . . . . . 0 N--CA 1.456 -0.139 0 CA-C-O 120.861 0.362 . . . . 32.159999999999997 110.799 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -70.66 -55.29 9.07 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.193 -0.458 . . . . 29.149999999999999 110.446 179.674 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.09 -42.78 99.14 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.912 -0.585 . . . . 28.98 110.339 179.574 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 16.2 mt -57.79 -50.13 74.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.767 -0.651 . . . . 31.399999999999999 110.762 179.648 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -49.99 -36.11 27.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.235 -0.439 . . . . 26.420000000000002 110.876 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -71.37 -32.03 68.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.129 -0.487 . . . . 25.550000000000001 110.518 179.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -72.54 -42.68 64.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.076 -0.511 . . . . 26.969999999999999 110.503 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 42.5 mm-40 -62.64 -49.23 76.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.917 -0.583 . . . . 19.66 110.507 179.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.0 m -58.93 -35.14 72.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.104 -0.498 . . . . 16.309999999999999 110.512 179.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.6 -47.83 84.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.043 -0.526 . . . . 18.309999999999999 110.511 179.691 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.8 mt -57.82 -39.69 78.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 18.98 110.382 179.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 55.7 t -71.52 -51.58 32.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.048 -0.524 . . . . 10.6 110.839 179.639 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 6.9 tttt -57.23 -46.07 83.32 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.176 -0.465 . . . . 17.780000000000001 110.406 179.587 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 15.0 ttmt -65.32 -39.5 92.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 22.870000000000001 110.207 179.465 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 5.4 tmm? -64.06 -37.43 87.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.841 -0.618 . . . . 10.0 110.265 179.488 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.433 ' CG1' ' HG ' ' A' ' 74' ' ' LEU . 75.7 t -72.78 -38.01 56.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.006 -0.543 . . . . 7.0899999999999999 110.765 179.76 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.488 ' CE1' ' HD3' ' A' ' 75' ' ' LYS . 10.3 t80 -54.73 -56.85 14.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.461 -0.336 . . . . 19.530000000000001 110.518 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -53.81 -45.3 70.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.259 -0.428 . . . . 12.140000000000001 110.558 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.3 m -65.52 -67.4 0.44 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 11.109999999999999 110.279 179.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.466 ' HB3' ' CE2' ' A' ' 78' ' ' TYR . 12.2 mt -50.69 -36.97 38.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.309 -0.405 . . . . 18.780000000000001 110.826 179.842 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.488 ' HD3' ' CE1' ' A' ' 71' ' ' PHE . 3.9 ttpp -54.31 -69.29 0.13 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.128 -0.487 . . . . 22.98 110.115 179.41 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -62.07 -32.45 72.98 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.626 -0.715 . . . . 17.18 110.952 179.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.408 ' HB3' ' HA ' ' A' ' 74' ' ' LEU . 0.7 OUTLIER -61.81 -52.5 63.93 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.433 -0.349 . . . . 19.760000000000002 110.451 179.867 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.466 ' CE2' ' HB3' ' A' ' 74' ' ' LEU . 20.6 m-85 -65.59 -19.84 66.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.302 -0.408 . . . . 26.34 110.751 179.434 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 5.7 ttmm -74.64 -27.63 60.52 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.259 -0.428 . . . . 27.309999999999999 110.614 179.556 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.48 -28.47 63.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 30.859999999999999 110.914 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 34.240000000000002 110.951 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 3.9 p30 . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.937 0.399 . . . . 33.969999999999999 110.837 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -54.7 -29.31 52.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.092 -0.503 . . . . 32.960000000000001 111.027 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -73.8 -54.36 8.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 30.390000000000001 110.907 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 5.7 mtm-85 -53.24 -43.23 67.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 23.239999999999998 110.868 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . 0.43 ' CD2' HG23 ' D' ' 73' ' ' THR . 81.8 mt -59.34 -59.56 5.26 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.129 -0.487 . . . . 18.760000000000002 110.734 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -49.02 -30.88 6.66 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.998 -0.546 . . . . 18.739999999999998 111.022 179.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 39.7 t0 -71.76 -62.23 1.49 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 23.079999999999998 110.712 179.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -57.41 -37.57 72.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 17.039999999999999 110.557 179.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . 0.421 ' OE1' ' CA ' ' B' ' 62' ' ' GLN . 0.1 OUTLIER -71.14 -41.98 69.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.025 -0.534 . . . . 15.630000000000001 110.686 179.731 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 81.2 p -68.66 -56.33 8.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.235 -0.439 . . . . 14.26 110.773 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -49.96 -30.76 11.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.299 -0.41 . . . . 8.6799999999999997 110.597 179.602 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.75 -44.22 86.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.972 -0.558 . . . . 7.1299999999999999 110.58 179.629 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 13.3 t -60.93 -33.05 54.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.017 -0.538 . . . . 7.4699999999999998 110.881 179.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 4.9 ttmt -61.75 -62.83 1.52 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.044 -0.525 . . . . 16.289999999999999 110.667 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 18.1 mttt -55.35 -27.12 45.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.22 -0.445 . . . . 20.140000000000001 110.481 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 69' ' ' MET . . . . . . . . . . . . . 29.4 ttp -74.88 -52.42 11.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 12.91 110.649 179.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 59.9 t -73.57 -22.91 19.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.09 -0.504 . . . . 15.390000000000001 110.899 179.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -66.14 -45.34 81.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.329 -0.396 . . . . 26.140000000000001 110.376 179.582 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -63.78 -41.62 97.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.086 -0.506 . . . . 28.239999999999998 110.497 179.6 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 73' ' ' THR . . . . . 0.467 HG22 ' CE1' ' C' ' 78' ' ' TYR . 74.1 m -60.62 -57.31 13.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.112 -0.495 . . . . 22.260000000000002 110.839 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 30.4 mt -51.15 -42.85 61.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.262 -0.426 . . . . 20.789999999999999 110.745 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 19.2 tttt -50.99 -42.17 60.05 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.271 -0.422 . . . . 26.300000000000001 110.559 179.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 76' ' ' ASP . . . . . 0.403 ' N ' ' OD1' ' B' ' 76' ' ' ASP . 0.7 OUTLIER -78.04 -30.37 49.84 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.98 -0.554 . . . . 29.739999999999998 110.548 179.554 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . 0.471 ' CD1' ' CD1' ' C' ' 78' ' ' TYR . 43.8 mt -64.02 -46.58 83.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.913 -0.585 . . . . 30.199999999999999 110.47 179.696 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 78' ' ' TYR . . . . . 0.4 ' HB3' ' CB ' ' A' ' 55' ' ' ALA . 5.6 m-85 -79.19 -39.39 33.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.987 -0.551 . . . . 32.240000000000002 110.611 179.756 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 3.8 ttmm . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.103 -0.499 . . . . 41.100000000000001 110.743 179.931 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.2 0 CA-C-O 120.909 0.385 . . . . 36.119999999999997 110.907 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -70.35 -55.37 9.29 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.125 -0.488 . . . . 31.469999999999999 110.497 179.665 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.06 -42.82 99.21 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.861 -0.609 . . . . 38.649999999999999 110.358 179.553 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 16.0 mt -57.84 -49.98 74.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.733 -0.667 . . . . 27.969999999999999 110.701 179.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -50.23 -36.01 29.14 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.163 -0.471 . . . . 20.550000000000001 110.886 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -71.32 -32.11 68.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 21.030000000000001 110.497 179.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -72.33 -42.65 65.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.071 -0.513 . . . . 22.289999999999999 110.584 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 62' ' ' GLN . . . . . 0.426 ' HB2' ' CD1' ' D' ' 74' ' ' LEU . 42.7 mm-40 -62.7 -49.23 75.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.958 -0.565 . . . . 25.390000000000001 110.516 179.768 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 63' ' ' SER . . . . . . . . . . . . . 4.1 m -58.84 -35.2 72.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.104 -0.498 . . . . 16.789999999999999 110.486 179.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.62 -47.93 83.67 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.082 -0.508 . . . . 25.309999999999999 110.593 179.687 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 65' ' ' LEU . . . . . . . . . . . . . 2.9 mt -57.49 -39.98 77.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.119 -0.491 . . . . 19.379999999999999 110.384 179.597 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 66' ' ' VAL . . . . . . . . . . . . . 55.5 t -71.24 -51.67 32.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.013 -0.54 . . . . 16.379999999999999 110.857 179.678 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 67' ' ' LYS . . . . . . . . . . . . . 6.8 tttt -57.32 -45.93 83.75 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.101 -0.5 . . . . 12.49 110.492 179.588 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 68' ' ' LYS . . . . . . . . . . . . . 15.0 ttmt -65.41 -39.66 92.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 13.140000000000001 110.116 179.467 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 69' ' ' MET . . . . . . . . . . . . . 5.4 tmm? -63.85 -37.57 87.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.867 -0.606 . . . . 9.4000000000000004 110.325 179.47 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 70' ' ' VAL . . . . . 0.427 ' CG1' ' HG ' ' C' ' 74' ' ' LEU . 76.1 t -72.67 -38.17 57.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.012 -0.54 . . . . 10.130000000000001 110.751 179.74 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 71' ' ' PHE . . . . . 0.495 ' CE1' ' HD3' ' C' ' 75' ' ' LYS . 10.1 t80 -54.53 -56.91 13.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.485 -0.325 . . . . 12.98 110.438 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -53.74 -45.17 70.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.265 -0.425 . . . . 11.94 110.624 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 73' ' ' THR . . . . . . . . . . . . . 18.9 m -65.63 -67.14 0.46 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 12.23 110.419 179.58 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 74' ' ' LEU . . . . . 0.479 ' HB3' ' CE2' ' C' ' 78' ' ' TYR . 12.5 mt -51.16 -36.57 41.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.276 -0.42 . . . . 14.99 110.796 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 75' ' ' LYS . . . . . 0.495 ' HD3' ' CE1' ' C' ' 71' ' ' PHE . 3.9 ttpp -54.48 -69.19 0.13 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.128 0.49 . . . . 13.529999999999999 110.203 179.249 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 76' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -62.2 -32.28 72.9 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.646 -0.706 . . . . 16.940000000000001 110.936 179.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.0 -52.56 63.5 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.452 -0.34 . . . . 21.059999999999999 110.376 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 78' ' ' TYR . . . . . 0.479 ' CE2' ' HB3' ' C' ' 74' ' ' LEU . 20.7 m-85 -65.59 -19.78 66.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.324 -0.398 . . . . 25.960000000000001 110.691 179.511 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 5.8 ttmm -74.65 -27.49 60.45 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.319 -0.4 . . . . 28.129999999999999 110.621 179.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.65 -28.38 63.72 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.196 -0.457 . . . . 28.100000000000001 110.929 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.086 -0.506 . . . . 34.270000000000003 110.923 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 3.9 p30 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.843 0.354 . . . . 35.649999999999999 110.953 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' D' D ' 55' ' ' ALA . . . . . . . . . . . . . . . -54.97 -29.16 56.25 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.064 -0.517 . . . . 31.449999999999999 111.013 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -73.8 -54.42 8.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.473 . . . . 31.25 110.866 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 57' ' ' ARG . . . . . . . . . . . . . 5.7 mtm-85 -53.18 -43.2 66.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 27.620000000000001 110.907 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 58' ' ' LEU . . . . . 0.427 HD22 ' NE2' ' D' ' 62' ' ' GLN . 81.4 mt -59.47 -59.23 5.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.085 -0.507 . . . . 22.73 110.751 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 59' ' ' ALA . . . . . . . . . . . . . . . -49.27 -30.88 7.9 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.967 -0.56 . . . . 20.859999999999999 110.987 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 60' ' ' ASP . . . . . . . . . . . . . 39.7 t0 -71.86 -62.29 1.47 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.083 -0.508 . . . . 16.850000000000001 110.738 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 61' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -57.24 -37.73 72.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 12.140000000000001 110.555 179.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 62' ' ' GLN . . . . . 0.434 ' HB3' ' CD1' ' C' ' 74' ' ' LEU . 0.0 OUTLIER -71.05 -42.01 70.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.004 -0.544 . . . . 11.06 110.764 179.676 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' D' D ' 63' ' ' SER . . . . . . . . . . . . . 80.8 p -68.64 -56.19 9.02 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.204 -0.453 . . . . 16.629999999999999 110.722 179.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 64' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -50.06 -30.69 11.35 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.966 0.413 . . . . 17.16 110.584 179.687 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.9 -44.11 86.25 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.937 -0.574 . . . . 11.34 110.552 179.731 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 66' ' ' VAL . . . . . . . . . . . . . 13.7 t -61.01 -33.36 55.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.12 -0.491 . . . . 10.720000000000001 110.918 179.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 67' ' ' LYS . . . . . . . . . . . . . 4.8 ttmt -61.36 -62.88 1.52 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 15.92 110.66 179.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 68' ' ' LYS . . . . . . . . . . . . . 18.0 mttt -55.2 -27.2 44.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 9.5600000000000005 110.548 179.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 69' ' ' MET . . . . . . . . . . . . . 29.2 ttp -74.93 -52.37 11.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.028 -0.533 . . . . 10.890000000000001 110.554 179.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 70' ' ' VAL . . . . . . . . . . . . . 58.1 t -73.48 -23.06 19.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 10.93 110.907 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -66.0 -45.62 80.89 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.967 0.413 . . . . 18.23 110.466 179.557 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -63.62 -41.53 98.27 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.991 -0.55 . . . . 23.989999999999998 110.484 179.67 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 73' ' ' THR . . . . . 0.43 HG23 ' CD2' ' B' ' 58' ' ' LEU . 68.0 m -60.68 -57.62 11.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.1 -0.5 . . . . 23.140000000000001 110.815 179.8 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 74' ' ' LEU . . . . . 0.426 ' CD1' ' HB2' ' C' ' 62' ' ' GLN . 30.4 mt -50.74 -42.97 58.05 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.217 -0.447 . . . . 27.170000000000002 110.759 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 75' ' ' LYS . . . . . . . . . . . . . 19.2 tttt -50.93 -42.35 59.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 30.800000000000001 110.567 179.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 76' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -77.94 -30.49 50.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.007 -0.542 . . . . 28.84 110.539 179.594 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 77' ' ' LEU . . . . . 0.413 ' CD1' ' CD1' ' A' ' 78' ' ' TYR . 46.1 mt -63.7 -46.93 83.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.921 -0.581 . . . . 28.91 110.592 179.612 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 78' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -79.01 -39.05 35.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.938 -0.574 . . . . 34.43 110.729 179.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 79' ' ' LYS . . . . . . . . . . . . . 3.7 ttmm . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 43.549999999999997 110.81 179.895 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.415 ' O ' ' CB ' ' A' ' 59' ' ' ALA . . . . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.796 0.331 . . . . 30.800000000000001 110.798 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -66.9 -54.55 21.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 27.84 110.503 179.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.428 ' HG3' ' N ' ' A' ' 58' ' ' LEU . 6.2 ptp180 -68.65 -41.9 78.71 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.858 -0.61 . . . . 28.68 110.34 179.516 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.48 HD12 ' CE1' ' B' ' 78' ' ' TYR . 2.2 tm? -62.84 -48.75 77.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.823 -0.626 . . . . 29.710000000000001 110.441 179.5 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.415 ' CB ' ' O ' ' A' ' 55' ' ' ALA . . . -58.4 -36.78 74.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.022 -0.535 . . . . 26.48 110.882 179.767 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -53.59 -51.36 63.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.429 . . . . 27.09 110.51 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.45 -39.8 92.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.042 -0.527 . . . . 27.48 110.65 179.752 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.427 ' HB2' ' CD1' ' B' ' 74' ' ' LEU . 77.9 mm-40 -59.16 -60.09 4.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.014 -0.539 . . . . 20.25 110.689 179.715 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 9.8 p -58.33 -30.03 66.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 16.329999999999998 110.552 179.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -59.27 -55.52 33.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.046 -0.525 . . . . 18.600000000000001 110.54 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 8.3 mt -54.3 -40.45 67.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.101 -0.499 . . . . 18.960000000000001 110.412 179.567 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 53.6 t -64.62 -50.62 74.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.027 -0.533 . . . . 9.9900000000000002 110.8 179.564 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 24.3 tttt -59.06 -47.32 85.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.024 -0.534 . . . . 19.350000000000001 110.529 179.666 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 22.3 ttpt -58.62 -37.75 76.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.084 -0.507 . . . . 22.82 110.637 179.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 29.6 ttp -64.43 -38.58 91.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.09 -0.505 . . . . 9.1199999999999992 110.505 179.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 73.7 t -74.37 -40.89 50.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.945 -0.571 . . . . 5.9900000000000002 110.966 179.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.483 ' CZ ' ' HD3' ' A' ' 75' ' ' LYS . 15.6 t80 -51.78 -64.24 0.88 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.462 -0.336 . . . . 17.870000000000001 110.622 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -51.1 -40.78 59.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.901 0.382 . . . . 10.49 110.611 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 21.5 m -65.58 -71.11 0.2 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.071 -0.513 . . . . 12.550000000000001 110.314 179.617 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.439 ' CD1' ' HB3' ' B' ' 62' ' ' GLN . 18.2 mt -51.79 -34.61 40.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.091 -0.504 . . . . 19.670000000000002 111.06 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.483 ' HD3' ' CZ ' ' A' ' 71' ' ' PHE . 6.1 tttp -55.55 -64.28 0.9 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.112 0.482 . . . . 23.539999999999999 110.102 179.513 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -66.66 -35.77 80.94 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.677 -0.692 . . . . 16.800000000000001 110.776 179.684 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.404 ' HB3' ' HA ' ' A' ' 74' ' ' LEU . 1.2 tp -61.23 -59.07 5.88 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.228 -0.442 . . . . 20.850000000000001 110.715 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 21.9 m-30 -59.91 -28.89 67.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.292 -0.413 . . . . 26.73 110.668 179.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 25.6 mttt -68.08 -28.46 67.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 28.079999999999998 110.623 179.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 4.9 tttt -65.27 -46.79 79.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.486 . . . . 31.57 110.914 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 78.1 p . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 116.012 -0.54 . . . . 35.0 110.994 -179.953 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.732 0.301 . . . . 33.600000000000001 110.824 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.28 -45.17 80.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 33.450000000000003 111.133 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -61.33 -47.44 85.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 31.129999999999999 110.88 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 10.1 mmm180 -59.34 -40.5 86.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 23.030000000000001 110.83 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 91.9 mt -61.43 -57.33 12.64 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.994 -0.548 . . . . 18.879999999999999 110.945 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -47.69 -31.5 4.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.018 -0.537 . . . . 18.73 111.1 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -76.35 -53.74 7.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.07 -0.513 . . . . 23.010000000000002 110.761 179.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -60.56 -34.16 73.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 16.52 110.719 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . 0.439 ' HB3' ' CD1' ' A' ' 74' ' ' LEU . 0.1 OUTLIER -77.07 -45.69 26.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 15.890000000000001 110.943 179.864 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 72.1 p -62.35 -52.52 63.29 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.319 -0.4 . . . . 14.449999999999999 110.623 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -54.15 -37.71 64.72 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.143 -0.48 . . . . 9.0600000000000005 110.594 179.677 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.48 -41.59 97.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.048 -0.524 . . . . 6.0800000000000001 110.69 179.774 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 3.5 t -62.23 -38.26 80.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.278 -0.419 . . . . 7.6299999999999999 111.095 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 1.9 ttpm? -57.19 -60.24 3.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.091 -0.504 . . . . 16.84 110.846 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 2.3 mtmp? -53.16 -34.44 56.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 17.109999999999999 110.824 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 69' ' ' MET . . . . . . . . . . . . . 24.6 ttp -67.16 -49.28 65.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 12.869999999999999 110.78 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 86.7 t -74.09 -27.72 22.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.047 -0.524 . . . . 15.289999999999999 111.029 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 37.1 t80 -63.12 -42.41 99.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.297 -0.41 . . . . 26.27 110.655 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -64.42 -51.76 61.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.091 -0.504 . . . . 27.280000000000001 110.749 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 73' ' ' THR . . . . . 0.401 HG23 ' HB3' ' D' ' 58' ' ' LEU . 55.3 m -55.66 -49.51 72.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 21.77 110.906 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 74' ' ' LEU . . . . . 0.427 ' CD1' ' HB2' ' A' ' 62' ' ' GLN . 19.2 mt -56.15 -43.9 78.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 20.690000000000001 110.959 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 3.0 ttpt -49.83 -44.71 49.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.343 -0.39 . . . . 26.870000000000001 110.793 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -74.13 -36.56 64.19 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.015 -0.539 . . . . 30.289999999999999 110.512 179.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 11.3 mt -55.15 -47.62 74.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.008 -0.542 . . . . 30.32 110.748 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 78' ' ' TYR . . . . . 0.48 ' CE1' HD12 ' A' ' 58' ' ' LEU . 2.5 m-85 -74.57 -45.98 41.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.02 -0.536 . . . . 32.799999999999997 111.027 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 4.0 mtmt . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.293 -0.412 . . . . 41.810000000000002 110.772 179.928 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' C' C ' 55' ' ' ALA . . . . . 0.411 ' O ' ' CB ' ' C' ' 59' ' ' ALA . . . . . . . . 0 N--CA 1.456 -0.143 0 CA-C-O 120.886 0.374 . . . . 33.899999999999999 110.809 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -66.96 -54.49 21.44 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.11 -0.496 . . . . 30.18 110.452 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 57' ' ' ARG . . . . . 0.435 ' HG3' ' N ' ' C' ' 58' ' ' LEU . 6.3 ptp180 -68.71 -41.8 78.6 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.939 -0.573 . . . . 39.100000000000001 110.359 179.534 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 58' ' ' LEU . . . . . 0.478 HD12 ' CE1' ' D' ' 78' ' ' TYR . 2.2 tm? -62.89 -48.66 78.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.699 -0.682 . . . . 27.68 110.473 179.491 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 59' ' ' ALA . . . . . 0.411 ' CB ' ' O ' ' C' ' 55' ' ' ALA . . . -58.36 -37.0 74.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.021 -0.536 . . . . 20.59 110.883 179.752 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -53.57 -51.2 63.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.074 -0.512 . . . . 20.440000000000001 110.567 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.54 -39.7 92.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.125 -0.489 . . . . 22.18 110.635 179.764 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 62' ' ' GLN . . . . . 0.422 ' HB2' ' CD1' ' D' ' 74' ' ' LEU . 78.8 mm-40 -59.24 -60.01 4.55 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.039 -0.528 . . . . 24.210000000000001 110.727 179.761 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 63' ' ' SER . . . . . . . . . . . . . 10.5 p -58.41 -30.14 66.63 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.125 -0.489 . . . . 18.210000000000001 110.496 179.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -59.03 -55.65 32.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.061 -0.518 . . . . 25.68 110.568 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 65' ' ' LEU . . . . . . . . . . . . . 8.3 mt -54.32 -40.27 67.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.146 -0.479 . . . . 19.16 110.441 179.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 66' ' ' VAL . . . . . . . . . . . . . 54.1 t -64.87 -50.48 74.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.095 -0.502 . . . . 15.720000000000001 110.724 179.56 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 67' ' ' LYS . . . . . . . . . . . . . 24.3 tttt -59.14 -47.36 85.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.068 -0.514 . . . . 10.66 110.507 179.677 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 68' ' ' LYS . . . . . . . . . . . . . 22.4 ttpt -58.53 -38.04 76.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 14.550000000000001 110.575 179.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 69' ' ' MET . . . . . . . . . . . . . 29.7 ttp -64.14 -38.46 91.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 9.4700000000000006 110.57 179.647 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 72.7 t -74.64 -40.86 48.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.994 -0.548 . . . . 10.550000000000001 110.96 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 71' ' ' PHE . . . . . 0.478 ' CZ ' ' HD3' ' C' ' 75' ' ' LYS . 15.6 t80 -51.69 -64.44 0.81 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.403 -0.362 . . . . 14.51 110.695 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -50.92 -40.81 58.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.866 0.365 . . . . 13.07 110.576 179.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 73' ' ' THR . . . . . . . . . . . . . 21.7 m -65.6 -71.09 0.2 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 11.48 110.347 179.644 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 74' ' ' LEU . . . . . 0.438 ' CD1' ' HB3' ' D' ' 62' ' ' GLN . 18.0 mt -51.77 -34.65 40.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 14.82 111.048 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 75' ' ' LYS . . . . . 0.478 ' HD3' ' CZ ' ' C' ' 71' ' ' PHE . 6.1 tttp -55.6 -63.93 1.01 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.222 -0.444 . . . . 14.0 110.191 179.532 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 76' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -67.07 -35.32 79.58 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.643 -0.708 . . . . 17.629999999999999 110.859 179.667 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 1.3 tp -61.51 -58.88 6.38 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.26 -0.427 . . . . 21.34 110.736 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 78' ' ' TYR . . . . . . . . . . . . . 21.9 m-30 -60.16 -29.01 68.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 26.870000000000001 110.621 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 25.8 mttt -67.9 -28.4 67.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 27.300000000000001 110.679 179.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 4.8 tttt -65.34 -46.64 79.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.074 -0.512 . . . . 27.989999999999998 110.936 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 81' ' ' THR . . . . . . . . . . . . . 74.8 p . . . . . 0 C--N 1.327 -0.392 0 CA-C-N 116.057 -0.519 . . . . 34.530000000000001 110.953 -179.992 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.817 0.341 . . . . 33.640000000000001 110.837 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' D' D ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.37 -45.26 80.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 31.02 111.144 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -61.19 -47.69 84.97 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.243 -0.435 . . . . 32.079999999999998 110.836 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 57' ' ' ARG . . . . . . . . . . . . . 10.1 mmm180 -59.1 -40.55 85.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 27.07 110.815 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 58' ' ' LEU . . . . . 0.401 ' HB3' HG23 ' B' ' 73' ' ' THR . 91.6 mt -61.5 -57.2 13.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.062 -0.517 . . . . 22.870000000000001 110.923 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 59' ' ' ALA . . . . . . . . . . . . . . . -47.76 -31.46 4.86 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.968 -0.56 . . . . 21.600000000000001 111.091 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 60' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -76.41 -53.61 7.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.997 -0.547 . . . . 17.27 110.723 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 61' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -60.49 -34.31 73.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.098 -0.501 . . . . 12.81 110.767 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 62' ' ' GLN . . . . . 0.438 ' HB3' ' CD1' ' C' ' 74' ' ' LEU . 0.1 OUTLIER -76.99 -45.63 26.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 10.92 110.927 179.867 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' D' D ' 63' ' ' SER . . . . . . . . . . . . . 72.4 p -62.52 -52.52 63.13 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.361 -0.382 . . . . 16.670000000000002 110.666 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 64' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -54.2 -37.78 64.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 17.039999999999999 110.62 179.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 65' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.43 -41.69 97.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.006 -0.543 . . . . 11.640000000000001 110.679 179.753 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 66' ' ' VAL . . . . . . . . . . . . . 3.4 t -62.17 -38.31 80.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.253 -0.43 . . . . 8.6699999999999999 111.066 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 67' ' ' LYS . . . . . . . . . . . . . 1.9 ttpm? -57.16 -59.91 4.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.086 -0.506 . . . . 14.779999999999999 110.866 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 68' ' ' LYS . . . . . . . . . . . . . 2.3 mtmp? -53.44 -34.48 58.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 9.9900000000000002 110.808 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 69' ' ' MET . . . . . . . . . . . . . 24.9 ttp -67.06 -49.41 65.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 11.02 110.722 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 70' ' ' VAL . . . . . . . . . . . . . 92.1 t -73.83 -27.9 23.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.006 -0.543 . . . . 10.91 111.107 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 36.9 t80 -63.05 -42.36 99.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.279 -0.419 . . . . 18.27 110.722 179.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -64.53 -51.54 62.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 23.84 110.784 179.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 73' ' ' THR . . . . . . . . . . . . . 53.6 m -55.77 -49.62 72.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 24.02 110.887 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 74' ' ' LEU . . . . . 0.422 ' CD1' ' HB2' ' C' ' 62' ' ' GLN . 19.4 mt -56.06 -43.9 78.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 27.43 110.94 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 75' ' ' LYS . . . . . . . . . . . . . 3.0 ttpt -49.79 -44.89 49.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.286 -0.415 . . . . 28.859999999999999 110.777 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 76' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -73.92 -36.66 64.72 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.013 -0.54 . . . . 28.920000000000002 110.479 179.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 77' ' ' LEU . . . . . . . . . . . . . 11.5 mt -54.97 -47.89 73.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.055 -0.521 . . . . 29.079999999999998 110.809 179.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 78' ' ' TYR . . . . . 0.478 ' CE1' HD12 ' C' ' 58' ' ' LEU . 2.6 m-85 -74.29 -46.24 42.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.965 -0.562 . . . . 34.590000000000003 111.005 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 79' ' ' LYS . . . . . . . . . . . . . 4.0 mtmt . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.306 -0.406 . . . . 44.630000000000003 110.855 179.907 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.805 0.336 . . . . 35.469999999999999 110.625 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -67.62 -52.76 34.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 31.219999999999999 110.283 179.56 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 3.6 ttp180 -59.46 -45.95 90.16 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.819 -0.628 . . . . 39.969999999999999 110.28 179.507 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 18.5 mt -55.43 -45.01 76.79 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.811 -0.631 . . . . 30.129999999999999 110.494 179.615 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -52.2 -39.7 60.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.049 -0.523 . . . . 20.98 110.813 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -68.65 -36.31 78.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 19.02 110.668 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.45 -52.19 54.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.122 -0.49 . . . . 20.91 110.789 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -57.87 -47.06 83.84 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.075 -0.511 . . . . 23.850000000000001 110.373 179.688 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 7.3 p -56.64 -35.79 68.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.019 -0.537 . . . . 19.289999999999999 110.664 179.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -63.42 -37.75 88.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.085 -0.507 . . . . 26.829999999999998 110.798 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 7.0 mt -67.31 -35.35 79.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.491 . . . . 20.620000000000001 110.581 179.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.405 ' HA ' ' HG2' ' A' ' 69' ' ' MET . 60.5 t -80.65 -33.46 13.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.125 -0.489 . . . . 15.92 111.053 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.3 tttt -76.49 -30.55 57.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 9.8300000000000001 110.523 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.413 ' HG3' ' N ' ' A' ' 69' ' ' MET . 0.4 OUTLIER -75.82 -39.75 56.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.063 -0.517 . . . . 15.220000000000001 110.437 179.569 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.413 ' N ' ' HG3' ' A' ' 68' ' ' LYS . 13.9 ptt? -66.56 -32.2 73.39 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.092 -0.504 . . . . 10.41 110.732 179.769 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 53.5 t -73.65 -44.13 53.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.078 -0.51 . . . . 9.7200000000000006 110.756 179.649 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.427 ' O ' ' CB ' ' A' ' 75' ' ' LYS . 10.7 t80 -50.72 -58.0 6.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.428 -0.351 . . . . 17.559999999999999 110.61 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -51.84 -44.27 63.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.369 -0.378 . . . . 14.359999999999999 110.467 179.648 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.8 m -64.88 -70.44 0.23 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.032 -0.531 . . . . 10.0 110.441 179.557 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.451 ' CD1' ' HB3' ' B' ' 62' ' ' GLN . 14.4 mt -50.05 -36.7 30.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.463 . . . . 14.33 111.053 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.427 ' CB ' ' O ' ' A' ' 71' ' ' PHE . 3.5 tttp -54.63 -69.15 0.14 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.095 -0.502 . . . . 15.06 110.28 179.528 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.33 -30.69 71.35 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.715 -0.675 . . . . 18.219999999999999 110.831 179.611 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.411 ' HB3' ' HA ' ' A' ' 74' ' ' LEU . 0.9 OUTLIER -64.68 -65.66 0.65 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.383 -0.371 . . . . 21.309999999999999 110.747 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.474 ' CE1' HG22 ' D' ' 73' ' ' THR . 18.6 m-85 -54.73 -22.63 14.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.439 -0.346 . . . . 28.25 110.891 179.808 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 3.9 tppt? -70.57 -34.64 72.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.365 -0.379 . . . . 26.870000000000001 110.84 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 13.1 tttt -72.04 -32.45 67.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 29.16 110.89 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.485 . . . . 34.880000000000003 110.894 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.75 0.309 . . . . 32.539999999999999 110.989 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -53.43 -31.65 46.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.314 -0.403 . . . . 30.25 111.189 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -80.82 -41.23 23.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.448 . . . . 33.700000000000003 110.984 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 26.3 mtt180 -62.59 -31.59 72.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.446 . . . . 26.66 111.077 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . 0.477 ' CD1' ' CG2' ' D' ' 73' ' ' THR . 60.1 mt -74.11 -50.1 20.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 22.079999999999998 111.059 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.88 -40.33 60.46 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.163 -0.472 . . . . 22.170000000000002 111.108 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.34 -55.59 7.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.092 -0.504 . . . . 21.82 111.025 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -56.73 -42.17 78.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 13.81 110.936 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . 0.451 ' HB3' ' CD1' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -67.84 -39.91 83.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.19 -0.459 . . . . 11.23 111.222 -179.81 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 2.8 p -65.76 -57.18 8.59 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.487 -0.324 . . . . 17.109999999999999 110.909 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . 0.411 ' HG3' ' N ' ' B' ' 65' ' ' LEU . 8.1 pt-20 -48.47 -32.97 8.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.315 -0.402 . . . . 17.309999999999999 110.935 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . 0.411 ' N ' ' HG3' ' B' ' 64' ' ' GLU . 0.0 OUTLIER -65.96 -44.99 83.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.04 -0.527 . . . . 11.890000000000001 110.624 179.841 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 19.8 t -57.73 -37.49 59.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.31 -0.404 . . . . 9.0500000000000007 110.766 179.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 75.1 tttt -60.12 -55.5 33.09 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.004 -0.544 . . . . 12.76 110.698 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 23.9 mttt -56.44 -32.53 64.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 11.18 110.721 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 69' ' ' MET . . . . . . . . . . . . . 41.1 ttp -71.22 -50.92 27.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 11.23 110.784 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 60.8 t -75.08 -22.3 16.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 11.17 111.15 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -63.29 -46.38 87.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.871 0.367 . . . . 17.879999999999999 110.54 179.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.47 -46.11 77.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.116 -0.493 . . . . 24.379999999999999 110.586 179.762 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 73' ' ' THR . . . . . 0.471 ' CG2' ' CD1' ' D' ' 58' ' ' LEU . 87.1 m -52.07 -53.13 45.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.093 -0.503 . . . . 24.73 110.856 179.804 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 46.5 mt -54.3 -42.68 70.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 27.140000000000001 111.088 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.96 -46.95 52.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.32 -0.4 . . . . 28.359999999999999 110.844 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 76' ' ' ASP . . . . . 0.431 ' HA ' ' CG ' ' B' ' 79' ' ' LYS . 63.3 m-20 -72.31 -30.52 64.86 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.946 -0.57 . . . . 28.23 110.677 179.626 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 20.1 mt -65.56 -37.38 86.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.929 -0.578 . . . . 29.43 110.966 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -84.97 -61.34 1.8 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.446 . . . . 33.950000000000003 111.164 -179.688 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 79' ' ' LYS . . . . . 0.431 ' CG ' ' HA ' ' B' ' 76' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.207 -0.451 . . . . 44.740000000000002 111.285 -179.834 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 55' ' ' ALA . . . . . 0.404 ' HB3' ' CB ' ' D' ' 78' ' ' TYR . . . . . . . . 0 N--CA 1.457 -0.125 0 CA-C-O 120.892 0.377 . . . . 31.41 110.71 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -67.72 -52.6 35.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 27.949999999999999 110.435 179.476 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 57' ' ' ARG . . . . . . . . . . . . . 3.6 ttp180 -59.56 -46.19 89.63 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.86 -0.609 . . . . 27.120000000000001 110.242 179.474 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 18.7 mt -54.98 -45.25 74.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.718 -0.674 . . . . 28.34 110.552 179.595 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 59' ' ' ALA . . . . . 0.401 ' HA ' ' CD1' ' D' ' 74' ' ' LEU . . . -52.08 -39.67 60.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.988 -0.551 . . . . 25.449999999999999 110.851 179.74 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -68.66 -36.35 78.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 27.140000000000001 110.658 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.33 -52.25 55.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.069 -0.514 . . . . 27.199999999999999 110.817 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -57.83 -47.07 83.7 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.025 -0.534 . . . . 20.530000000000001 110.483 179.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 63' ' ' SER . . . . . . . . . . . . . 8.4 p -56.6 -35.87 68.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.937 -0.574 . . . . 16.41 110.616 179.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -63.48 -37.68 88.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.484 . . . . 18.859999999999999 110.699 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 65' ' ' LEU . . . . . . . . . . . . . 6.9 mt -67.26 -35.47 79.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 17.399999999999999 110.552 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 66' ' ' VAL . . . . . 0.404 ' HA ' ' HG2' ' C' ' 69' ' ' MET . 61.0 t -80.5 -33.46 13.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.066 -0.516 . . . . 10.529999999999999 111.047 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 67' ' ' LYS . . . . . . . . . . . . . 4.3 tttt -76.31 -30.95 57.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 20.5 110.531 179.724 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 68' ' ' LYS . . . . . 0.411 ' HG3' ' N ' ' C' ' 69' ' ' MET . 0.4 OUTLIER -75.46 -39.92 58.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 20.039999999999999 110.38 179.585 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' C' C ' 69' ' ' MET . . . . . 0.411 ' N ' ' HG3' ' C' ' 68' ' ' LYS . 14.2 ptt? -66.5 -32.03 73.13 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.466 . . . . 8.5299999999999994 110.733 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 51.7 t -73.83 -43.79 52.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 4.75 110.743 179.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 71' ' ' PHE . . . . . 0.438 ' O ' ' CB ' ' C' ' 75' ' ' LYS . 10.8 t80 -51.06 -57.86 7.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.408 -0.36 . . . . 14.94 110.702 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -51.9 -44.37 63.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.869 0.366 . . . . 9.3100000000000005 110.417 179.654 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 73' ' ' THR . . . . . . . . . . . . . 19.1 m -64.84 -70.58 0.22 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.018 -0.537 . . . . 13.33 110.342 179.61 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 74' ' ' LEU . . . . . 0.443 ' CD1' ' HB3' ' D' ' 62' ' ' GLN . 14.4 mt -49.8 -36.87 27.82 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.24 -0.436 . . . . 20.010000000000002 111.052 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 75' ' ' LYS . . . . . 0.438 ' CB ' ' O ' ' C' ' 71' ' ' PHE . 3.5 tttp -54.48 -69.2 0.13 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.045 -0.525 . . . . 23.57 110.301 179.514 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 76' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.4 -30.61 71.33 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.757 -0.656 . . . . 15.44 110.887 179.677 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.71 -65.44 0.67 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.317 -0.401 . . . . 21.02 110.699 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 78' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -54.81 -23.0 16.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 25.899999999999999 110.926 179.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 3.9 tppt? -70.29 -34.73 73.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.29 -0.414 . . . . 28.989999999999998 110.898 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 13.1 tttt -71.97 -32.58 67.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 30.120000000000001 110.931 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 34.130000000000003 110.886 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.822 0.344 . . . . 34.100000000000001 110.971 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' D' D ' 55' ' ' ALA . . . . . . . . . . . . . . . -53.37 -31.59 45.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 34.590000000000003 111.173 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -80.79 -41.36 23.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.431 . . . . 30.850000000000001 110.992 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 57' ' ' ARG . . . . . . . . . . . . . 25.6 mtt180 -62.45 -31.62 72.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.23 -0.441 . . . . 27.059999999999999 111.199 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 58' ' ' LEU . . . . . 0.471 ' CD1' ' CG2' ' B' ' 73' ' ' THR . 60.2 mt -74.05 -50.23 20.62 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.319 -0.401 . . . . 19.43 110.992 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.73 -40.32 60.02 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.138 -0.483 . . . . 18.370000000000001 111.021 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.5 -55.67 7.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.481 . . . . 23.469999999999999 110.895 -179.838 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 61' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -56.57 -42.31 78.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.094 -0.503 . . . . 16.260000000000002 110.971 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 62' ' ' GLN . . . . . 0.443 ' HB3' ' CD1' ' C' ' 74' ' ' LEU . 0.0 OUTLIER -67.68 -40.03 84.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 15.9 111.264 -179.862 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' D' D ' 63' ' ' SER . . . . . . . . . . . . . 2.9 p -65.55 -57.14 8.91 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.769 0.318 . . . . 14.73 110.982 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 64' ' ' GLU . . . . . 0.402 ' HG3' ' N ' ' D' ' 65' ' ' LEU . 8.1 pt-20 -48.64 -33.09 9.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.34 -0.391 . . . . 9.9800000000000004 110.832 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 65' ' ' LEU . . . . . 0.402 ' N ' ' HG3' ' D' ' 64' ' ' GLU . 0.0 OUTLIER -65.69 -45.3 83.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.034 -0.53 . . . . 6.6399999999999997 110.651 179.765 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' D' D ' 66' ' ' VAL . . . . . . . . . . . . . 20.8 t -57.64 -36.95 56.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.294 -0.412 . . . . 8.8599999999999994 110.853 179.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 67' ' ' LYS . . . . . 0.404 ' O ' ' N ' ' D' ' 71' ' ' PHE . 74.5 tttt -60.66 -55.4 33.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.004 -0.544 . . . . 20.199999999999999 110.786 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 68' ' ' LYS . . . . . . . . . . . . . 23.8 mttt -56.37 -32.66 64.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 17.059999999999999 110.729 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 69' ' ' MET . . . . . . . . . . . . . 40.1 ttp -71.1 -51.14 26.81 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.094 -0.503 . . . . 12.869999999999999 110.803 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 70' ' ' VAL . . . . . . . . . . . . . 59.4 t -74.88 -22.24 17.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 15.449999999999999 111.132 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 71' ' ' PHE . . . . . 0.404 ' N ' ' O ' ' D' ' 67' ' ' LYS . 12.3 t80 -63.33 -46.11 88.18 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.296 -0.411 . . . . 26.239999999999998 110.705 179.757 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -66.78 -45.86 77.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.072 -0.513 . . . . 28.329999999999998 110.582 179.722 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 73' ' ' THR . . . . . 0.477 ' CG2' ' CD1' ' B' ' 58' ' ' LEU . 85.9 m -52.2 -52.95 49.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 20.879999999999999 110.869 179.823 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 74' ' ' LEU . . . . . 0.401 ' CD1' ' HA ' ' C' ' 59' ' ' ALA . 47.8 mt -54.43 -42.95 71.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.484 . . . . 21.559999999999999 111.119 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.57 -46.84 49.43 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.323 -0.399 . . . . 28.300000000000001 110.842 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 76' ' ' ASP . . . . . 0.428 ' HA ' ' CG ' ' D' ' 79' ' ' LYS . 63.4 m-20 -72.47 -30.31 64.44 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.006 -0.543 . . . . 30.969999999999999 110.682 179.642 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 77' ' ' LEU . . . . . . . . . . . . . 20.0 mt -65.91 -37.31 85.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.94 -0.573 . . . . 30.41 110.931 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 78' ' ' TYR . . . . . 0.404 ' CB ' ' HB3' ' C' ' 55' ' ' ALA . 15.2 m-85 -84.96 -61.18 1.84 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 33.649999999999999 111.176 -179.782 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 79' ' ' LYS . . . . . 0.428 ' CG ' ' HA ' ' D' ' 76' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.246 0 CA-C-N 116.183 -0.462 . . . . 41.229999999999997 111.351 -179.816 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.171 0 CA-C-O 120.834 0.35 . . . . 34.579999999999998 110.843 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -73.02 -52.47 14.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.065 -0.516 . . . . 30.530000000000001 110.405 179.642 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.3 mtm105 -63.39 -39.14 93.71 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.936 -0.574 . . . . 37.950000000000003 110.373 179.525 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 11.9 mt -59.93 -51.37 69.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.906 -0.588 . . . . 28.5 110.638 179.528 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -50.18 -36.02 28.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.1 -0.5 . . . . 20.039999999999999 110.885 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -67.99 -29.85 68.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.081 -0.509 . . . . 19.579999999999998 110.624 179.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -74.88 -50.73 15.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.058 -0.519 . . . . 21.260000000000002 110.771 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.443 ' HB2' ' CD1' ' B' ' 74' ' ' LEU . 64.7 mm-40 -53.89 -53.99 44.92 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.93 -0.577 . . . . 24.670000000000002 110.755 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.2 m -58.42 -39.0 78.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 17.109999999999999 110.622 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.53 -26.82 55.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 26.350000000000001 110.523 179.791 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.9 mt -79.83 -32.31 40.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 19.34 110.462 179.712 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.4 t -78.84 -38.03 20.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.857 -0.61 . . . . 15.66 110.947 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.406 ' HG3' ' N ' ' A' ' 68' ' ' LYS . 2.1 ptmm? -62.7 -46.71 86.87 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.228 -0.442 . . . . 12.289999999999999 110.644 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.406 ' N ' ' HG3' ' A' ' 67' ' ' LYS . 1.6 mppt? -60.1 -42.51 94.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 13.85 110.446 179.575 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 24.2 ttp -59.45 -37.89 79.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.033 -0.53 . . . . 9.4600000000000009 110.449 179.576 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 77.2 t -73.78 -42.51 54.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.01 -0.541 . . . . 11.44 110.76 179.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.434 ' O ' ' CB ' ' A' ' 75' ' ' LYS . 39.1 t80 -52.03 -59.76 3.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.424 -0.353 . . . . 15.91 110.44 179.771 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -53.53 -44.15 68.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.919 0.39 . . . . 12.800000000000001 110.377 179.698 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 20.0 m -63.6 -70.24 0.23 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.096 -0.502 . . . . 11.470000000000001 110.167 179.499 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.443 ' CD1' ' HB3' ' B' ' 62' ' ' GLN . 14.5 mt -50.25 -36.3 30.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.064 -0.516 . . . . 14.949999999999999 110.861 179.728 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.434 ' CB ' ' O ' ' A' ' 71' ' ' PHE . 17.4 ttpp -54.95 -69.32 0.13 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.107 0.48 . . . . 14.16 110.118 179.572 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.32 -31.03 71.6 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.684 -0.689 . . . . 17.68 110.716 179.656 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.424 ' HB3' ' HA ' ' A' ' 74' ' ' LEU . 0.8 OUTLIER -64.06 -63.39 1.16 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.407 -0.361 . . . . 21.43 110.541 179.881 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 22.1 m-30 -55.34 -32.13 62.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.288 -0.415 . . . . 27.140000000000001 110.578 179.651 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.3 tptm -65.26 -28.95 69.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.097 -0.501 . . . . 28.260000000000002 110.527 179.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.61 -37.84 85.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.03 -0.532 . . . . 28.059999999999999 110.721 179.831 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 21.9 p . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 115.912 -0.585 . . . . 34.740000000000002 110.908 179.881 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 12.6 t0 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.752 0.31 . . . . 33.740000000000002 110.945 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.74 -49.44 76.57 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.266 -0.424 . . . . 31.09 111.131 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -58.56 -46.47 86.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 33.240000000000002 110.849 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 74.2 mtt180 -60.96 -33.5 73.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 30.140000000000001 110.656 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 61.7 mt -70.18 -54.51 12.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.088 -0.505 . . . . 22.850000000000001 110.87 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.25 -30.53 17.95 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.914 -0.584 . . . . 21.550000000000001 111.153 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -71.3 -62.74 1.29 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 18.129999999999999 110.962 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -56.62 -36.07 69.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.299 -0.41 . . . . 12.800000000000001 110.684 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . 0.443 ' HB3' ' CD1' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -70.39 -42.3 71.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 10.84 110.824 179.693 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 8.5 p -65.63 -56.41 12.35 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.277 -0.42 . . . . 17.449999999999999 110.833 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 19.1 pt-20 -49.34 -37.13 23.45 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.28 -0.418 . . . . 17.27 110.675 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.72 -41.3 97.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.491 . . . . 12.09 110.717 179.753 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 25.7 t -62.67 -36.48 75.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 9.4600000000000009 110.796 179.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 1.2 tttt -61.59 -53.35 57.47 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.058 -0.519 . . . . 15.59 110.633 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 21.8 ttmt -54.86 -36.84 65.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 10.57 110.626 179.663 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 69' ' ' MET . . . . . . . . . . . . . 33.3 ttp -66.05 -52.8 45.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.014 -0.539 . . . . 11.109999999999999 110.563 179.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 81.1 t -69.45 -26.93 32.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.082 -0.508 . . . . 10.9 110.765 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 33.0 t80 -57.33 -43.49 83.43 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.149 -0.478 . . . . 18.120000000000001 110.547 179.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -67.55 -50.15 59.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 24.27 110.603 179.656 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 73' ' ' THR . . . . . . . . . . . . . 52.4 m -50.26 -59.02 4.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 23.719999999999999 110.784 179.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 74' ' ' LEU . . . . . 0.443 ' CD1' ' HB2' ' A' ' 62' ' ' GLN . 23.5 mt -50.36 -39.32 46.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 27.140000000000001 110.966 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 4.1 tttt -49.2 -46.83 46.25 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.274 -0.421 . . . . 29.140000000000001 110.892 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -75.71 -26.36 57.45 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.948 -0.569 . . . . 28.289999999999999 110.78 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 43.3 mt -69.01 -49.56 56.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.082 -0.508 . . . . 29.010000000000002 110.968 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -73.7 -27.63 61.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 33.600000000000001 111.01 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.228 -0.442 . . . . 43.590000000000003 110.877 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.143 0 CA-C-O 120.804 0.335 . . . . 30.66 110.809 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -73.26 -52.44 14.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 27.300000000000001 110.391 179.586 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 57' ' ' ARG . . . . . . . . . . . . . 8.4 mtm105 -63.23 -39.31 94.26 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.938 -0.574 . . . . 27.379999999999999 110.361 179.46 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 11.9 mt -59.94 -51.45 69.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.871 -0.604 . . . . 30.02 110.631 179.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -50.14 -35.94 27.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 25.649999999999999 110.9 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -67.87 -30.01 69.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.088 -0.506 . . . . 26.079999999999998 110.611 179.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -74.81 -50.48 17.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.002 -0.545 . . . . 27.210000000000001 110.817 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 64.4 mm-40 -54.11 -53.89 47.11 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.005 -0.543 . . . . 19.84 110.716 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 63' ' ' SER . . . . . . . . . . . . . 1.2 m -58.53 -38.81 78.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 16.030000000000001 110.732 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.74 -26.79 58.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.122 -0.49 . . . . 17.02 110.542 179.8 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 65' ' ' LEU . . . . . . . . . . . . . 4.9 mt -79.8 -32.65 40.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.072 -0.513 . . . . 18.399999999999999 110.366 179.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 66' ' ' VAL . . . . . . . . . . . . . 21.4 t -78.42 -38.26 22.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.943 -0.572 . . . . 9.8000000000000007 110.982 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 67' ' ' LYS . . . . . 0.406 ' HG3' ' N ' ' C' ' 68' ' ' LYS . 2.2 ptmm? -62.43 -46.82 86.81 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.238 -0.437 . . . . 19.59 110.72 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 68' ' ' LYS . . . . . 0.406 ' N ' ' HG3' ' C' ' 67' ' ' LYS . 1.6 mppt? -60.09 -42.46 94.69 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.181 -0.463 . . . . 22.960000000000001 110.402 179.607 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 69' ' ' MET . . . . . . . . . . . . . 24.0 ttp -59.46 -37.79 79.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.958 -0.565 . . . . 8.9199999999999999 110.442 179.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 74.0 t -73.97 -42.39 52.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.031 -0.531 . . . . 5.8200000000000003 110.815 179.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 71' ' ' PHE . . . . . 0.428 ' O ' ' CB ' ' C' ' 75' ' ' LYS . 39.0 t80 -52.13 -59.79 3.96 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.402 -0.363 . . . . 18.390000000000001 110.444 179.742 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -53.48 -44.18 68.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.926 0.393 . . . . 9.6999999999999993 110.367 179.721 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 73' ' ' THR . . . . . . . . . . . . . 19.9 m -63.63 -70.22 0.23 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.049 -0.523 . . . . 12.050000000000001 110.183 179.443 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 74' ' ' LEU . . . . . 0.44 ' CD1' ' HB3' ' D' ' 62' ' ' GLN . 14.8 mt -50.21 -36.34 30.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.08 -0.509 . . . . 19.48 110.95 179.725 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 75' ' ' LYS . . . . . 0.428 ' CB ' ' O ' ' C' ' 71' ' ' PHE . 17.4 ttpp -54.82 -69.57 0.13 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.069 -0.514 . . . . 21.109999999999999 110.136 179.462 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 76' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.17 -30.91 71.39 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.632 -0.713 . . . . 16.079999999999998 110.794 179.654 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 77' ' ' LEU . . . . . 0.406 ' HB3' ' HA ' ' C' ' 74' ' ' LEU . 0.8 OUTLIER -64.23 -63.22 1.2 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.336 -0.393 . . . . 20.780000000000001 110.593 179.858 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' C' C ' 78' ' ' TYR . . . . . . . . . . . . . 22.0 m-30 -55.54 -32.08 62.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.31 -0.404 . . . . 25.940000000000001 110.555 179.646 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 1.3 tptm -65.23 -28.86 69.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.088 -0.506 . . . . 27.98 110.576 179.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.59 -38.1 86.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.03 -0.532 . . . . 30.329999999999998 110.598 179.76 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 81' ' ' THR . . . . . . . . . . . . . 21.8 p . . . . . 0 C--N 1.327 -0.376 0 CA-C-N 115.983 -0.553 . . . . 34.299999999999997 110.899 179.991 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 12.7 t0 . . . . . 0 CA--C 1.528 0.101 0 CA-C-O 120.721 0.295 . . . . 34.789999999999999 110.94 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' D' D ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.9 -49.36 77.0 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.322 -0.399 . . . . 34.539999999999999 111.166 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -58.55 -46.32 87.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 31.670000000000002 110.832 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 57' ' ' ARG . . . . . . . . . . . . . 73.8 mtt180 -61.23 -33.35 73.36 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.292 -0.413 . . . . 27.07 110.655 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 58' ' ' LEU . . . . . . . . . . . . . 62.3 mt -70.33 -54.21 13.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.148 -0.478 . . . . 19.77 110.939 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.51 -30.51 20.56 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.939 -0.573 . . . . 18.940000000000001 111.133 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 60' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -71.28 -62.9 1.23 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.195 -0.457 . . . . 23.969999999999999 110.898 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 61' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -56.55 -35.99 68.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.306 -0.406 . . . . 17.289999999999999 110.663 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 62' ' ' GLN . . . . . 0.44 ' HB3' ' CD1' ' C' ' 74' ' ' LEU . 0.0 OUTLIER -70.57 -42.16 71.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.144 -0.48 . . . . 16.300000000000001 110.851 179.802 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' D' D ' 63' ' ' SER . . . . . . . . . . . . . 8.7 p -65.77 -56.05 14.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.25 -0.432 . . . . 14.609999999999999 110.794 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 64' ' ' GLU . . . . . . . . . . . . . 19.1 pt-20 -49.52 -37.02 25.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.292 -0.413 . . . . 9.8399999999999999 110.779 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 65' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.69 -41.62 97.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.038 -0.528 . . . . 6.5899999999999999 110.63 179.716 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 66' ' ' VAL . . . . . . . . . . . . . 25.3 t -62.46 -36.48 75.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 7.9800000000000004 110.838 179.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 67' ' ' LYS . . . . . . . . . . . . . 1.2 tttt -61.63 -53.13 60.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.048 -0.524 . . . . 16.969999999999999 110.684 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 68' ' ' LYS . . . . . . . . . . . . . 21.8 ttmt -55.07 -36.82 66.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 18.809999999999999 110.574 179.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 69' ' ' MET . . . . . . . . . . . . . 33.5 ttp -66.14 -52.61 46.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.041 -0.527 . . . . 13.09 110.67 179.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 70' ' ' VAL . . . . . . . . . . . . . 86.3 t -69.74 -26.65 31.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.081 -0.509 . . . . 15.48 110.801 179.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 32.7 t80 -57.53 -43.55 84.43 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.107 -0.497 . . . . 26.449999999999999 110.553 179.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -67.53 -49.94 61.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 28.469999999999999 110.534 179.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 73' ' ' THR . . . . . . . . . . . . . 55.3 m -50.51 -58.72 5.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.115 -0.493 . . . . 21.82 110.789 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 74' ' ' LEU . . . . . . . . . . . . . 24.9 mt -50.73 -39.08 50.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.473 . . . . 21.0 110.915 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 75' ' ' LYS . . . . . . . . . . . . . 4.0 tttt -49.39 -46.91 47.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 27.09 110.836 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 76' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -75.58 -26.48 57.95 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.012 -0.54 . . . . 31.129999999999999 110.769 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 77' ' ' LEU . . . . . . . . . . . . . 42.7 mt -68.89 -49.57 57.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.066 -0.515 . . . . 30.390000000000001 110.99 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 78' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -73.63 -27.7 61.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.262 -0.426 . . . . 32.549999999999997 111.096 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.44 . . . . 40.270000000000003 110.974 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.129 0 CA-C-O 120.854 0.359 . . . . 33.780000000000001 110.791 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -63.96 -56.95 11.44 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.147 -0.479 . . . . 29.91 110.585 179.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 15.0 ptt180 -62.89 -43.37 98.98 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.015 -0.539 . . . . 39.390000000000001 110.074 179.366 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.415 HD11 ' CE1' ' B' ' 78' ' ' TYR . 2.1 tm? -60.49 -53.17 60.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.661 -0.7 . . . . 26.329999999999998 110.474 179.562 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.8 -44.45 86.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.006 -0.543 . . . . 20.440000000000001 110.832 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.5 -34.37 61.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 20.75 110.582 179.799 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -70.59 -40.46 73.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.49 . . . . 22.23 110.632 179.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.431 ' HB2' ' CD1' ' B' ' 74' ' ' LEU . 0.8 OUTLIER -64.42 -42.88 95.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.037 -0.528 . . . . 25.43 110.537 179.693 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 13.5 m -59.1 -35.66 73.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.053 -0.521 . . . . 17.600000000000001 110.564 179.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.416 ' HA ' ' HG2' ' A' ' 67' ' ' LYS . 6.2 mt-10 -61.67 -49.24 77.29 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.107 -0.497 . . . . 25.030000000000001 110.493 179.636 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 5.9 mt -54.46 -32.57 57.97 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.15 -0.477 . . . . 18.469999999999999 110.181 179.506 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 38.9 t -76.16 -50.58 22.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.893 -0.594 . . . . 16.309999999999999 111.047 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.416 ' HG2' ' HA ' ' A' ' 64' ' ' GLU . 1.1 pttm -57.96 -43.55 86.52 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.325 -0.398 . . . . 14.94 110.517 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 5.4 ttpt -58.93 -39.07 80.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 14.0 110.475 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 38.2 ttp -63.54 -47.38 81.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.009 -0.541 . . . . 8.75 110.482 179.511 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 64.8 t -65.02 -34.0 67.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.981 -0.554 . . . . 11.130000000000001 110.57 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.488 ' CZ ' ' HD3' ' A' ' 75' ' ' LYS . 28.5 t80 -59.28 -60.8 3.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.334 -0.394 . . . . 13.470000000000001 110.455 179.631 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -52.79 -40.95 63.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 11.0 110.36 179.611 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 21.4 m -66.9 -70.68 0.23 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.046 -0.524 . . . . 12.119999999999999 110.37 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.413 ' HA ' ' HB3' ' A' ' 77' ' ' LEU . 13.3 mt -50.78 -37.62 43.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.095 -0.502 . . . . 15.58 110.994 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.488 ' HD3' ' CZ ' ' A' ' 71' ' ' PHE . 9.6 tttt -53.99 -69.32 0.13 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.031 0.443 . . . . 13.07 110.174 179.491 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.57 -29.69 70.19 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.687 -0.688 . . . . 16.390000000000001 110.807 179.597 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.413 ' HB3' ' HA ' ' A' ' 74' ' ' LEU . 0.6 OUTLIER -66.8 -67.48 0.45 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.196 -0.456 . . . . 20.84 110.645 -179.913 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.41 ' CZ ' HG23 ' D' ' 73' ' ' THR . 20.5 m-30 -50.7 -25.8 4.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.414 -0.357 . . . . 25.600000000000001 110.855 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.88 -38.02 87.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 27.98 110.858 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 15.4 tttt -67.32 -33.07 74.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 27.23 110.873 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 34.740000000000002 111.136 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.907 0.384 . . . . 35.310000000000002 110.723 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -54.38 -45.24 72.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.094 -0.503 . . . . 32.799999999999997 110.957 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -62.01 -56.48 18.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 32.799999999999997 110.612 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 8.3 mtm180 -53.01 -30.99 38.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 29.73 110.498 179.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 15.8 mt -68.95 -58.88 3.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.907 -0.588 . . . . 23.449999999999999 110.781 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -48.09 -34.3 9.5 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.862 -0.608 . . . . 21.219999999999999 111.036 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -63.31 -45.63 90.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.081 -0.509 . . . . 17.5 110.635 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -63.51 -33.81 76.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.229 -0.441 . . . . 12.75 110.797 179.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . 0.423 ' HB3' ' CE ' ' D' ' 69' ' ' MET . 3.5 mm-40 -74.2 -47.07 37.91 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.163 -0.471 . . . . 11.960000000000001 110.574 179.754 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -53.6 -59.11 5.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 17.48 110.657 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -51.91 -36.84 50.28 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 116.213 -0.448 . . . . 19.25 110.401 179.659 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -64.56 -51.06 64.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.963 -0.562 . . . . 11.869999999999999 110.39 179.531 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 21.4 t -58.71 -31.74 44.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.187 -0.46 . . . . 9.1199999999999992 110.731 179.497 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 67' ' ' LYS . . . . . 0.412 ' O ' ' N ' ' B' ' 71' ' ' PHE . 6.2 tttt -60.65 -59.14 5.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.989 -0.551 . . . . 16.829999999999998 110.975 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 1.2 ptmt -56.16 -29.87 61.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.811 0.339 . . . . 10.33 110.71 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 69' ' ' MET . . . . . 0.428 ' CE ' ' HB3' ' D' ' 62' ' ' GLN . 57.5 ttp -72.07 -50.92 24.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.132 -0.486 . . . . 10.77 110.651 179.768 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . 0.434 HG12 ' CD2' ' C' ' 74' ' ' LEU . 60.8 t -76.63 -20.52 14.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 10.880000000000001 111.161 179.823 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.412 ' N ' ' O ' ' B' ' 67' ' ' LYS . 13.2 t80 -69.15 -43.03 75.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.234 -0.439 . . . . 18.239999999999998 110.638 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -69.3 -41.09 77.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.496 . . . . 23.789999999999999 110.625 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 73' ' ' THR . . . . . 0.47 HG23 ' CZ ' ' C' ' 78' ' ' TYR . 89.2 m -52.63 -59.28 4.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 23.0 110.614 179.795 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 74' ' ' LEU . . . . . 0.431 ' CD1' ' HB2' ' A' ' 62' ' ' GLN . 55.2 mt -52.27 -35.5 50.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 27.449999999999999 110.673 179.759 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -52.34 -43.5 64.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 30.350000000000001 110.475 179.832 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 76' ' ' ASP . . . . . 0.427 ' HA ' ' CG ' ' B' ' 79' ' ' LYS . 30.2 m-20 -76.38 -29.47 57.15 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.938 -0.574 . . . . 29.379999999999999 110.597 179.642 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 20.8 mt -66.93 -37.2 83.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.993 -0.548 . . . . 28.960000000000001 110.949 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 78' ' ' TYR . . . . . 0.415 ' CE1' HD11 ' A' ' 58' ' ' LEU . 1.6 m-85 -82.44 -59.98 2.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 35.219999999999999 111.068 -179.812 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 79' ' ' LYS . . . . . 0.427 ' CG ' ' HA ' ' B' ' 76' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.283 -0.417 . . . . 42.909999999999997 110.878 -179.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.124 0 CA-C-O 120.875 0.369 . . . . 30.91 110.854 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -63.96 -57.12 10.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 27.449999999999999 110.526 179.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 57' ' ' ARG . . . . . . . . . . . . . 15.0 ptt180 -62.79 -43.54 98.52 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.055 -0.521 . . . . 29.77 110.041 179.42 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -60.35 -53.05 62.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.653 -0.703 . . . . 30.170000000000002 110.526 179.523 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.6 -44.86 85.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.093 -0.503 . . . . 26.449999999999999 110.786 179.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.32 -34.4 60.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 24.949999999999999 110.655 179.808 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -70.52 -40.43 73.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 26.82 110.616 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 62' ' ' GLN . . . . . 0.422 ' HB2' ' CD1' ' D' ' 74' ' ' LEU . 0.8 OUTLIER -64.54 -42.54 95.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.082 -0.508 . . . . 19.5 110.546 179.742 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' C' C ' 63' ' ' SER . . . . . . . . . . . . . 13.7 m -59.53 -35.47 74.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.062 -0.517 . . . . 16.510000000000002 110.542 179.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 64' ' ' GLU . . . . . 0.408 ' HA ' ' HG2' ' C' ' 67' ' ' LYS . 6.2 mt-10 -61.79 -49.26 77.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.175 -0.466 . . . . 18.030000000000001 110.506 179.567 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 65' ' ' LEU . . . . . . . . . . . . . 6.0 mt -54.46 -32.56 57.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.086 -0.506 . . . . 19.82 110.186 179.521 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 66' ' ' VAL . . . . . . . . . . . . . 38.9 t -76.17 -50.7 21.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.819 -0.628 . . . . 11.289999999999999 111.069 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 67' ' ' LYS . . . . . 0.408 ' HG2' ' HA ' ' C' ' 64' ' ' GLU . 1.0 OUTLIER -57.82 -43.47 85.75 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.32 -0.4 . . . . 18.329999999999998 110.602 179.922 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' C' C ' 68' ' ' LYS . . . . . . . . . . . . . 5.3 ttpt -58.99 -39.11 80.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.018 -0.537 . . . . 23.68 110.448 179.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 69' ' ' MET . . . . . . . . . . . . . 38.1 ttp -63.62 -47.34 81.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.068 -0.514 . . . . 9.75 110.446 179.548 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 72.1 t -65.13 -34.17 68.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.085 -0.507 . . . . 6.8399999999999999 110.705 179.625 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 71' ' ' PHE . . . . . 0.477 ' CZ ' ' HD3' ' C' ' 75' ' ' LYS . 28.4 t80 -58.85 -60.9 3.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.26 -0.427 . . . . 19.859999999999999 110.357 179.63 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -52.8 -40.93 63.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.291 -0.413 . . . . 12.0 110.434 179.635 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 73' ' ' THR . . . . . . . . . . . . . 21.2 m -66.92 -70.54 0.24 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.011 -0.541 . . . . 11.18 110.471 179.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 74' ' ' LEU . . . . . 0.477 ' CD1' ' CB ' ' D' ' 62' ' ' GLN . 13.5 mt -50.96 -37.44 44.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.064 -0.516 . . . . 18.859999999999999 111.077 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 75' ' ' LYS . . . . . 0.477 ' HD3' ' CZ ' ' C' ' 71' ' ' PHE . 9.6 tttt -54.2 -68.98 0.14 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 20.609999999999999 110.221 179.46 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 76' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.77 -29.61 70.25 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.708 -0.678 . . . . 17.129999999999999 110.811 179.579 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 77' ' ' LEU . . . . . 0.415 ' HB3' ' HA ' ' C' ' 74' ' ' LEU . 0.6 OUTLIER -66.81 -67.4 0.45 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.229 -0.441 . . . . 21.079999999999998 110.72 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' C' C ' 78' ' ' TYR . . . . . 0.47 ' CZ ' HG23 ' B' ' 73' ' ' THR . 20.5 m-30 -50.72 -25.95 4.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.462 -0.335 . . . . 27.82 110.804 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.71 -38.15 88.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.297 -0.41 . . . . 27.850000000000001 110.896 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 15.2 tttt -67.21 -33.3 75.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.146 -0.479 . . . . 31.620000000000001 110.88 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 81' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 35.189999999999998 111.182 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.88 0.372 . . . . 34.5 110.837 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' D' D ' 55' ' ' ALA . . . . . . . . . . . . . . . -54.41 -45.14 72.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.495 . . . . 33.57 111.031 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -62.05 -56.51 18.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 31.109999999999999 110.69 179.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 57' ' ' ARG . . . . . . . . . . . . . 8.3 mtm180 -53.07 -30.9 38.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 23.77 110.481 179.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 58' ' ' LEU . . . . . . . . . . . . . 15.6 mt -69.13 -58.52 3.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.865 -0.607 . . . . 19.68 110.887 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 59' ' ' ALA . . . . . . . . . . . . . . . -48.53 -34.05 10.63 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.872 -0.604 . . . . 18.879999999999999 111.084 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 60' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -63.45 -45.83 89.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.11 -0.495 . . . . 23.710000000000001 110.68 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 61' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -63.2 -33.85 76.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 16.829999999999998 110.857 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 62' ' ' GLN . . . . . 0.477 ' CB ' ' CD1' ' C' ' 74' ' ' LEU . 3.4 mm-40 -74.55 -46.87 36.15 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.187 -0.46 . . . . 15.5 110.681 179.791 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 63' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -53.55 -58.53 6.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 14.710000000000001 110.514 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 64' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -52.26 -36.88 53.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 8.7100000000000009 110.417 179.601 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 65' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -64.46 -51.03 65.12 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.014 -0.539 . . . . 7.04 110.376 179.488 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 66' ' ' VAL . . . . . . . . . . . . . 21.5 t -58.72 -31.89 45.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.489 . . . . 7.2800000000000002 110.576 179.641 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 67' ' ' LYS . . . . . 0.401 ' O ' ' N ' ' D' ' 71' ' ' PHE . 6.2 tttt -60.78 -58.97 6.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.927 -0.578 . . . . 16.0 110.933 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 68' ' ' LYS . . . . . . . . . . . . . 1.2 ptmt -56.22 -29.87 61.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.874 0.368 . . . . 15.34 110.786 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 69' ' ' MET . . . . . 0.423 ' CE ' ' HB3' ' B' ' 62' ' ' GLN . 57.7 ttp -72.1 -50.87 24.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 12.710000000000001 110.653 179.811 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 70' ' ' VAL . . . . . . . . . . . . . 58.8 t -77.13 -19.89 14.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 15.6 111.187 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 71' ' ' PHE . . . . . 0.401 ' N ' ' O ' ' D' ' 67' ' ' LYS . 13.1 t80 -69.57 -43.06 73.66 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.329 -0.396 . . . . 25.809999999999999 110.583 179.689 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -69.14 -41.19 77.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.078 -0.51 . . . . 28.289999999999999 110.583 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 73' ' ' THR . . . . . 0.41 HG23 ' CZ ' ' A' ' 78' ' ' TYR . 87.9 m -52.45 -59.6 4.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 22.5 110.62 179.793 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 74' ' ' LEU . . . . . 0.422 ' CD1' ' HB2' ' C' ' 62' ' ' GLN . 56.4 mt -52.02 -35.68 47.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 21.059999999999999 110.708 179.725 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 75' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -52.08 -43.62 63.94 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.214 -0.448 . . . . 26.25 110.492 179.764 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 76' ' ' ASP . . . . . 0.431 ' HA ' ' CG ' ' D' ' 79' ' ' LYS . 30.2 m-20 -76.36 -29.62 57.26 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.012 -0.54 . . . . 30.620000000000001 110.51 179.728 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 77' ' ' LEU . . . . . . . . . . . . . 21.0 mt -66.81 -37.22 84.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.07 -0.514 . . . . 30.32 110.941 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 78' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -82.21 -60.15 2.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 32.920000000000002 111.055 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 79' ' ' LYS . . . . . 0.431 ' CG ' ' HA ' ' D' ' 76' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 42.640000000000001 111.014 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.812 0.339 . . . . 31.300000000000001 110.891 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -61.06 -57.11 13.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.222 -0.445 . . . . 27.84 110.6 179.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 1.2 mtm180 -65.74 -47.66 74.51 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.006 -0.543 . . . . 26.609999999999999 110.341 179.542 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -54.3 -41.56 69.09 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.67 -0.695 . . . . 28.780000000000001 110.726 179.613 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.13 -40.68 86.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.059 -0.519 . . . . 26.050000000000001 111.056 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 58.4 t0 -58.48 -34.82 71.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 26.890000000000001 110.823 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -61.41 -56.34 21.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 26.780000000000001 110.83 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.412 ' OE1' ' N ' ' A' ' 62' ' ' GLN . 6.3 mp0 -51.66 -39.01 57.39 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.006 -0.543 . . . . 20.539999999999999 110.698 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.59 -44.17 91.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.12 -0.491 . . . . 16.489999999999998 110.652 179.746 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.99 -20.43 62.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.467 . . . . 17.920000000000002 110.872 179.773 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.4 mt -78.92 -36.92 41.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.968 0.413 . . . . 16.440000000000001 110.204 179.458 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 46.6 t -73.94 -40.02 52.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.898 -0.592 . . . . 11.02 110.75 179.463 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.437 ' CG ' ' N ' ' A' ' 68' ' ' LYS . 18.8 ptmt -64.94 -49.74 69.18 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.091 -0.504 . . . . 20.039999999999999 110.594 179.785 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.437 ' N ' ' CG ' ' A' ' 67' ' ' LYS . 0.0 OUTLIER -62.89 -34.61 77.76 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.134 -0.485 . . . . 23.440000000000001 110.25 179.583 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 7.3 tmm? -69.61 -45.67 68.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.805 -0.634 . . . . 9.0 110.257 179.45 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 45.2 t -66.09 -35.07 74.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.031 -0.532 . . . . 4.96 110.5 179.618 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.456 ' CZ ' ' HE2' ' A' ' 75' ' ' LYS . 65.0 t80 -52.76 -60.36 3.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.288 -0.415 . . . . 16.449999999999999 110.404 179.662 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.59 -49.89 61.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 9.25 110.783 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 19.8 m -57.62 -71.45 0.1 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.318 -0.401 . . . . 12.94 110.198 179.647 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.442 ' CD1' ' CB ' ' B' ' 62' ' ' GLN . 14.3 mt -49.7 -35.6 22.39 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.132 -0.485 . . . . 19.390000000000001 110.872 179.804 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.456 ' HE2' ' CZ ' ' A' ' 71' ' ' PHE . 6.6 ttmm -55.23 -67.72 0.25 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.021 -0.536 . . . . 23.149999999999999 110.204 179.544 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.63 -31.5 72.69 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.601 -0.727 . . . . 15.24 110.908 179.676 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.404 ' HB3' ' HA ' ' A' ' 74' ' ' LEU . 1.1 tp -64.68 -60.32 3.24 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.396 -0.365 . . . . 20.5 110.75 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 22.0 m-30 -57.3 -23.8 50.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.357 -0.383 . . . . 25.690000000000001 110.762 179.625 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 24.7 mttt -69.48 -30.11 67.92 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.245 -0.434 . . . . 27.109999999999999 110.791 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -60.53 -26.54 66.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.245 -0.434 . . . . 30.079999999999998 110.864 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 23.1 p . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 34.619999999999997 110.872 179.975 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 31.1 m-20 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.732 0.301 . . . . 35.130000000000003 111.06 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -52.54 -36.65 56.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.283 -0.417 . . . . 34.969999999999999 111.191 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.59 -59.72 3.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.293 -0.412 . . . . 32.049999999999997 110.862 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 57' ' ' ARG . . . . . 0.432 ' HG3' ' N ' ' B' ' 58' ' ' LEU . 0.0 OUTLIER -50.8 -30.78 15.1 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.302 -0.408 . . . . 24.18 110.713 179.925 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . 0.432 ' N ' ' HG3' ' B' ' 57' ' ' ARG . 4.2 mt -72.13 -62.71 1.33 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.108 -0.496 . . . . 19.91 110.816 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -44.89 -29.97 0.91 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.983 -0.553 . . . . 18.5 111.051 179.731 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -70.97 -41.91 70.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.985 -0.552 . . . . 22.379999999999999 110.224 179.364 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.98 -31.36 71.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.971 -0.559 . . . . 16.52 110.404 179.523 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . 0.442 ' CB ' ' CD1' ' A' ' 74' ' ' LEU . 12.4 mm-40 -72.85 -47.52 45.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.958 -0.565 . . . . 15.84 110.575 179.796 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.12 -60.5 3.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.481 . . . . 14.800000000000001 110.589 179.754 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -53.15 -31.82 44.48 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 116.253 -0.43 . . . . 10.77 110.346 179.599 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.18 -50.57 31.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.985 -0.552 . . . . 7.0300000000000002 110.295 179.522 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 59.3 t -63.63 -32.28 56.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.185 -0.461 . . . . 8.6400000000000006 110.846 179.612 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 22.6 tttt -64.07 -53.64 46.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.1 -0.5 . . . . 19.300000000000001 110.954 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 15.8 mttt -57.35 -33.01 67.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.458 . . . . 19.960000000000001 110.742 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 69' ' ' MET . . . . . . . . . . . . . 28.7 ttp -69.96 -49.64 49.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 12.699999999999999 110.797 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 95.7 t -74.95 -22.73 17.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 15.140000000000001 111.062 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -63.41 -45.2 92.11 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.414 -0.357 . . . . 26.07 110.591 179.669 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.76 -45.04 76.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.064 -0.517 . . . . 27.809999999999999 110.773 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 73' ' ' THR . . . . . 0.426 ' CG2' HD22 ' D' ' 58' ' ' LEU . 54.4 m -49.97 -54.65 18.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.231 -0.441 . . . . 20.68 110.852 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 41.3 mt -54.19 -40.3 67.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 21.120000000000001 110.841 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.34 -47.3 62.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.448 . . . . 27.77 110.655 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -72.23 -31.07 65.5 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.989 -0.551 . . . . 31.16 110.555 179.707 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 25.3 mt -62.64 -48.97 77.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.944 -0.571 . . . . 30.460000000000001 110.746 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 54.9 m-85 -79.83 -28.31 40.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.064 -0.517 . . . . 33.079999999999998 110.874 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.059 -0.519 . . . . 39.579999999999998 111.16 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.772 0.32 . . . . 35.670000000000002 110.853 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -61.0 -57.26 13.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 30.75 110.579 179.726 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 57' ' ' ARG . . . . . . . . . . . . . 1.2 mtm180 -65.7 -47.54 75.07 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.001 -0.545 . . . . 39.159999999999997 110.295 179.605 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -54.36 -41.83 69.58 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.677 -0.692 . . . . 29.170000000000002 110.69 179.609 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.88 -40.78 85.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.058 -0.519 . . . . 21.050000000000001 111.06 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 58.2 t0 -58.51 -34.57 71.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.236 -0.438 . . . . 18.559999999999999 110.828 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -61.63 -56.32 21.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 21.43 110.812 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 62' ' ' GLN . . . . . 0.414 ' OE1' ' N ' ' C' ' 62' ' ' GLN . 6.3 mp0 -51.57 -39.02 57.07 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.025 -0.534 . . . . 23.920000000000002 110.697 179.814 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 63' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.74 -44.05 91.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.112 -0.494 . . . . 18.079999999999998 110.689 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.96 -20.5 62.38 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.138 -0.483 . . . . 25.02 110.899 179.762 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 65' ' ' LEU . . . . . . . . . . . . . 3.3 mt -78.9 -36.61 41.75 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.962 0.411 . . . . 20.5 110.244 179.534 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 66' ' ' VAL . . . . . . . . . . . . . 46.3 t -74.31 -39.94 49.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.95 -0.568 . . . . 16.0 110.729 179.492 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 67' ' ' LYS . . . . . 0.441 ' CG ' ' N ' ' C' ' 68' ' ' LYS . 18.8 ptmt -64.91 -49.56 69.96 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.071 -0.513 . . . . 10.359999999999999 110.571 179.759 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 68' ' ' LYS . . . . . 0.441 ' N ' ' CG ' ' C' ' 67' ' ' LYS . 0.0 OUTLIER -63.1 -34.71 78.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.112 -0.494 . . . . 14.630000000000001 110.155 179.604 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' C' C ' 69' ' ' MET . . . . . . . . . . . . . 7.3 tmm? -69.51 -45.96 67.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.86 -0.609 . . . . 10.44 110.242 179.462 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 46.2 t -65.81 -35.22 74.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.967 -0.56 . . . . 10.539999999999999 110.49 179.595 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 71' ' ' PHE . . . . . 0.445 ' CZ ' ' HE2' ' C' ' 75' ' ' LYS . 64.9 t80 -52.64 -60.45 3.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.275 -0.42 . . . . 17.059999999999999 110.415 179.68 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.52 -49.82 61.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.282 -0.417 . . . . 14.1 110.697 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 73' ' ' THR . . . . . . . . . . . . . 19.7 m -57.74 -71.55 0.1 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.383 -0.372 . . . . 10.27 110.191 179.715 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 74' ' ' LEU . . . . . 0.481 ' CD1' ' CB ' ' D' ' 62' ' ' GLN . 14.5 mt -49.65 -35.31 20.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.131 -0.486 . . . . 14.27 110.899 179.801 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 75' ' ' LYS . . . . . 0.445 ' HE2' ' CZ ' ' C' ' 71' ' ' PHE . 6.6 ttmm -55.53 -67.87 0.25 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.074 -0.512 . . . . 14.789999999999999 110.167 179.436 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 76' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.41 -31.6 72.8 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.625 -0.716 . . . . 17.98 110.926 179.687 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 1.1 tp -64.59 -60.24 3.35 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.307 -0.406 . . . . 21.170000000000002 110.751 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 78' ' ' TYR . . . . . 0.405 ' CE2' HG23 ' B' ' 73' ' ' THR . 22.0 m-30 -57.5 -23.59 51.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.336 -0.393 . . . . 27.670000000000002 110.74 179.691 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 24.7 mttt -69.59 -30.08 67.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.304 -0.407 . . . . 25.719999999999999 110.796 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -60.63 -26.4 67.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.213 -0.449 . . . . 30.969999999999999 110.911 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 81' ' ' THR . . . . . . . . . . . . . 23.4 p . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 34.689999999999998 110.872 179.95 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.751 0.31 . . . . 33.479999999999997 110.992 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' D' D ' 55' ' ' ALA . . . . . . . . . . . . . . . -52.56 -36.59 56.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.304 -0.407 . . . . 30.460000000000001 111.192 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.58 -59.86 3.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 33.719999999999999 110.871 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 57' ' ' ARG . . . . . 0.43 ' HG3' ' N ' ' D' ' 58' ' ' LEU . 0.0 OUTLIER -50.81 -30.77 15.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.266 -0.424 . . . . 27.120000000000001 110.754 179.913 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' D' D ' 58' ' ' LEU . . . . . 0.43 ' N ' ' HG3' ' D' ' 57' ' ' ARG . 4.2 mt -72.28 -61.9 1.63 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.063 -0.517 . . . . 22.539999999999999 110.808 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 59' ' ' ALA . . . . . . . . . . . . . . . -45.61 -29.95 1.37 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.993 -0.549 . . . . 21.960000000000001 111.058 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 60' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -71.05 -41.66 70.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.972 -0.558 . . . . 18.719999999999999 110.239 179.425 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 61' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.07 -31.25 71.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.011 -0.541 . . . . 13.35 110.484 179.548 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 62' ' ' GLN . . . . . 0.481 ' CB ' ' CD1' ' C' ' 74' ' ' LEU . 12.4 mm-40 -72.92 -47.74 43.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.927 -0.578 . . . . 11.109999999999999 110.624 179.699 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 63' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.84 -60.45 3.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 16.73 110.573 179.735 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 64' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -53.18 -31.85 44.86 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 116.279 -0.419 . . . . 17.91 110.376 179.626 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.17 -50.29 34.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.961 -0.563 . . . . 11.27 110.414 179.472 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 66' ' ' VAL . . . . . . . . . . . . . 58.9 t -63.89 -32.3 56.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.117 -0.492 . . . . 8.8599999999999994 110.793 179.622 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 67' ' ' LYS . . . . . . . . . . . . . 22.7 tttt -64.01 -53.79 44.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.013 -0.539 . . . . 12.779999999999999 110.898 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 68' ' ' LYS . . . . . . . . . . . . . 15.9 mttt -57.33 -32.89 67.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 11.41 110.764 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 69' ' ' MET . . . . . . . . . . . . . 28.4 ttp -70.05 -49.66 49.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 10.960000000000001 110.759 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 70' ' ' VAL . . . . . . . . . . . . . 96.8 t -74.79 -22.94 17.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.057 -0.519 . . . . 10.619999999999999 111.034 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -63.23 -45.25 92.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.342 -0.39 . . . . 17.690000000000001 110.677 179.662 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.74 -45.08 76.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 24.27 110.786 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 73' ' ' THR . . . . . 0.42 ' CG2' HD22 ' B' ' 58' ' ' LEU . 54.0 m -49.91 -54.7 18.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 24.25 110.885 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 74' ' ' LEU . . . . . . . . . . . . . 41.5 mt -54.07 -40.43 67.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 27.109999999999999 110.835 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.25 -47.21 62.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 27.920000000000002 110.715 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 76' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -72.32 -31.22 65.49 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.947 -0.57 . . . . 28.07 110.535 179.686 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 77' ' ' LEU . . . . . . . . . . . . . 25.5 mt -62.36 -49.18 76.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.959 -0.564 . . . . 28.710000000000001 110.775 179.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 78' ' ' TYR . . . . . . . . . . . . . 54.9 m-85 -79.8 -28.22 40.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.065 -0.516 . . . . 34.020000000000003 110.855 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.036 -0.529 . . . . 42.390000000000001 111.24 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.144 0 CA-C-O 120.861 0.362 . . . . 35.119999999999997 110.562 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -62.41 -57.73 10.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.1 -0.5 . . . . 30.350000000000001 110.483 179.612 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 15.3 ptp180 -61.44 -44.76 96.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.953 -0.567 . . . . 36.770000000000003 110.175 179.406 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -58.68 -44.97 90.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.651 -0.704 . . . . 25.899999999999999 110.471 179.496 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -55.78 -37.26 68.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.973 -0.558 . . . . 20.780000000000001 110.856 179.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -62.13 -38.28 88.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.036 -0.529 . . . . 22.280000000000001 110.643 179.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 56.1 tt0 -55.44 -63.93 1.01 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.489 . . . . 23.16 110.735 179.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.431 ' N ' ' OE1' ' A' ' 62' ' ' GLN . 0.1 OUTLIER -50.76 -38.69 49.37 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.005 -0.543 . . . . 25.98 110.808 179.797 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.9 m -59.5 -30.76 68.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 17.539999999999999 110.628 179.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.03 -38.98 66.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.078 -0.51 . . . . 24.629999999999999 110.707 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 23.8 mt -56.76 -41.19 77.16 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.097 -0.501 . . . . 17.309999999999999 110.74 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 62.0 t -67.97 -49.27 69.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.055 -0.521 . . . . 15.390000000000001 111.01 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.9 tttm -55.41 -51.03 68.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 15.279999999999999 110.608 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -54.3 -39.3 66.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 13.65 110.579 179.676 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 53.9 ttp -65.59 -40.69 92.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 8.4000000000000004 110.568 179.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 73.5 t -71.17 -41.52 75.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.029 -0.532 . . . . 10.85 110.837 179.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.476 ' CZ ' ' HD3' ' A' ' 75' ' ' LYS . 19.6 t80 -51.95 -60.77 2.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.34 -0.391 . . . . 10.25 110.591 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -52.23 -45.73 65.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 11.380000000000001 110.771 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.5 m -64.2 -69.3 0.29 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.354 -0.384 . . . . 13.300000000000001 110.356 179.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.47 ' CD1' ' CB ' ' B' ' 62' ' ' GLN . 14.8 mt -50.37 -36.09 31.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 16.350000000000001 110.961 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.476 ' HD3' ' CZ ' ' A' ' 71' ' ' PHE . 7.8 tttp -55.46 -67.6 0.27 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.121 0.486 . . . . 14.06 110.107 179.408 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.51 -32.03 72.88 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.543 -0.753 . . . . 16.390000000000001 110.842 179.59 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.4 ' HB3' ' HA ' ' A' ' 74' ' ' LEU . 1.2 tp -65.58 -65.04 0.73 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.329 -0.396 . . . . 21.23 110.629 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 22.7 m-30 -55.85 -24.63 37.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 25.010000000000002 110.759 179.67 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.09 -27.72 64.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.311 -0.404 . . . . 30.210000000000001 110.47 179.661 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.46 -41.77 96.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.106 -0.497 . . . . 27.539999999999999 110.687 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 70.9 p . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.035 -0.53 . . . . 34.880000000000003 110.764 179.791 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 2.1 t0 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.962 0.411 . . . . 34.310000000000002 110.949 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -51.58 -38.02 52.49 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.079 -0.509 . . . . 32.649999999999999 111.022 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.53 -52.21 23.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 31.609999999999999 110.837 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 17.7 mtt180 -57.79 -26.67 62.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 32.140000000000001 110.684 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . 0.434 HD13 ' CG2' ' D' ' 73' ' ' THR . 24.8 mt -76.21 -51.95 11.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.112 -0.495 . . . . 22.809999999999999 110.886 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.08 -50.52 72.53 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.991 -0.549 . . . . 20.18 110.954 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -59.57 -51.23 70.71 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.175 -0.466 . . . . 18.149999999999999 110.882 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 21.6 tp10 -58.27 -36.67 73.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 12.4 110.727 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . 0.47 ' CB ' ' CD1' ' A' ' 74' ' ' LEU . 0.1 OUTLIER -73.93 -49.46 24.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.986 -0.552 . . . . 11.24 110.891 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 1.5 m -58.71 -55.63 32.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.891 0.377 . . . . 17.219999999999999 110.349 179.615 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . 0.426 ' HG3' ' N ' ' B' ' 65' ' ' LEU . 10.4 pt-20 -48.2 -37.71 16.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.079 -0.509 . . . . 19.039999999999999 110.685 179.567 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . 0.426 ' N ' ' HG3' ' B' ' 64' ' ' GLU . 0.1 OUTLIER -63.03 -40.39 97.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.93 -0.577 . . . . 11.02 110.594 179.657 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 3.5 t -64.19 -38.64 83.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.092 -0.504 . . . . 9.9299999999999997 110.95 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.99 -63.8 1.04 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.048 -0.524 . . . . 18.84 110.735 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 1.3 ttmp? -50.82 -32.33 19.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.279 -0.419 . . . . 11.25 110.638 179.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 69' ' ' MET . . . . . . . . . . . . . 26.4 ttp -68.28 -53.16 26.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.009 -0.541 . . . . 10.98 110.653 179.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 58.9 t -69.98 -25.13 27.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 11.699999999999999 110.842 179.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -59.81 -45.9 90.9 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.125 -0.489 . . . . 18.620000000000001 110.669 179.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.71 -46.36 79.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.12 -0.491 . . . . 24.109999999999999 110.676 179.752 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 73' ' ' THR . . . . . 0.415 ' CG2' ' CD1' ' D' ' 58' ' ' LEU . 96.5 m -51.84 -60.79 2.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 22.07 110.82 179.788 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 29.5 mt -50.2 -47.41 54.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 26.899999999999999 110.998 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 6.4 tttt -49.94 -41.45 46.39 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.338 -0.392 . . . . 30.109999999999999 110.835 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -79.11 -26.69 42.89 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.957 -0.565 . . . . 29.5 110.771 179.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 18.7 mt -67.6 -46.26 73.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.065 -0.516 . . . . 28.859999999999999 111.036 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -71.23 -60.49 2.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 34.799999999999997 111.025 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 16.6 ptmt . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 41.579999999999998 111.171 -179.66 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' C' C ' 55' ' ' ALA . . . . . 0.413 ' HB3' ' CD2' ' D' ' 78' ' ' TYR . . . . . . . . 0 N--CA 1.455 -0.184 0 CA-C-O 120.795 0.331 . . . . 31.449999999999999 110.6 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -62.46 -57.98 9.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.465 . . . . 27.739999999999998 110.376 179.552 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 57' ' ' ARG . . . . . . . . . . . . . 15.3 ptp180 -61.22 -44.9 96.52 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.949 -0.568 . . . . 29.530000000000001 110.178 179.461 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -58.49 -45.11 89.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.657 -0.702 . . . . 31.780000000000001 110.525 179.453 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -55.67 -37.33 68.15 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.916 -0.584 . . . . 26.16 110.882 179.672 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -62.06 -38.25 88.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.095 -0.502 . . . . 24.52 110.68 179.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 56.2 tt0 -55.46 -63.94 1.01 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.071 -0.513 . . . . 25.25 110.737 179.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 62' ' ' GLN . . . . . 0.428 ' N ' ' OE1' ' C' ' 62' ' ' GLN . 0.1 OUTLIER -50.78 -38.6 49.11 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.989 -0.551 . . . . 19.48 110.85 179.783 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' C' C ' 63' ' ' SER . . . . . . . . . . . . . 5.2 m -59.53 -30.93 68.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.117 -0.492 . . . . 17.309999999999999 110.606 179.73 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.91 -38.77 66.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.08 -0.509 . . . . 18.75 110.791 179.747 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 65' ' ' LEU . . . . . . . . . . . . . 23.4 mt -56.93 -41.23 77.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.471 . . . . 19.879999999999999 110.719 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 66' ' ' VAL . . . . . . . . . . . . . 61.6 t -67.94 -49.3 69.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.105 -0.498 . . . . 11.119999999999999 110.955 179.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 67' ' ' LYS . . . . . . . . . . . . . 7.8 tttm -55.07 -51.28 66.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 16.239999999999998 110.683 179.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 68' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -54.21 -39.44 66.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 23.59 110.668 179.721 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 69' ' ' MET . . . . . . . . . . . . . 53.9 ttp -65.4 -40.66 93.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.109 -0.496 . . . . 10.48 110.65 179.684 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 73.5 t -71.24 -41.28 74.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.047 -0.524 . . . . 7.4800000000000004 110.826 179.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 71' ' ' PHE . . . . . 0.468 ' CZ ' ' HD3' ' C' ' 75' ' ' LYS . 19.7 t80 -52.36 -60.56 3.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.409 -0.36 . . . . 20.84 110.557 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -52.23 -45.98 65.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.279 -0.419 . . . . 12.08 110.695 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 73' ' ' THR . . . . . . . . . . . . . 18.7 m -63.92 -69.35 0.28 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.29 -0.414 . . . . 9.9000000000000004 110.362 179.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 74' ' ' LEU . . . . . 0.476 ' CD1' ' CB ' ' D' ' 62' ' ' GLN . 14.9 mt -50.42 -36.1 31.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 18.210000000000001 110.962 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 75' ' ' LYS . . . . . 0.468 ' HD3' ' CZ ' ' C' ' 71' ' ' PHE . 7.9 tttp -55.53 -67.46 0.28 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.13 -0.486 . . . . 21.329999999999998 110.06 179.49 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 76' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.56 -32.09 73.0 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.641 -0.708 . . . . 17.280000000000001 110.799 179.601 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 1.2 tp -65.51 -65.18 0.71 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.297 -0.41 . . . . 20.27 110.642 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 78' ' ' TYR . . . . . . . . . . . . . 22.7 m-30 -55.75 -24.68 36.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.433 . . . . 27.25 110.703 179.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.89 -27.91 65.19 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.319 -0.4 . . . . 27.059999999999999 110.494 179.621 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.3 -41.65 96.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.092 -0.504 . . . . 31.510000000000002 110.799 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 81' ' ' THR . . . . . . . . . . . . . 69.5 p . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.061 -0.518 . . . . 34.329999999999998 110.791 179.8 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 2.1 t0 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.868 0.366 . . . . 33.649999999999999 110.923 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' D' D ' 55' ' ' ALA . . . . . . . . . . . . . . . -51.72 -37.96 53.23 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.121 -0.49 . . . . 32.909999999999997 110.995 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.6 -52.1 23.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 31.300000000000001 110.816 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 57' ' ' ARG . . . . . . . . . . . . . 17.5 mtt180 -57.73 -26.77 62.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 23.010000000000002 110.735 179.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 58' ' ' LEU . . . . . 0.415 ' CD1' ' CG2' ' B' ' 73' ' ' THR . 23.8 mt -76.01 -52.65 9.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.038 -0.528 . . . . 19.469999999999999 110.896 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 59' ' ' ALA . . . . . . . . . . . . . . . -56.45 -50.79 70.66 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.008 -0.542 . . . . 19.66 110.909 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 60' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -59.43 -51.33 70.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 24.800000000000001 110.884 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 61' ' ' GLU . . . . . . . . . . . . . 21.5 tp10 -58.09 -36.71 73.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.233 -0.44 . . . . 17.129999999999999 110.754 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 62' ' ' GLN . . . . . 0.476 ' CB ' ' CD1' ' C' ' 74' ' ' LEU . 0.0 OUTLIER -74.05 -49.65 23.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.022 -0.535 . . . . 15.31 110.919 179.931 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' D' D ' 63' ' ' SER . . . . . . . . . . . . . 1.5 m -58.31 -55.61 32.82 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.979 0.418 . . . . 14.869999999999999 110.319 179.702 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 64' ' ' GLU . . . . . 0.419 ' HG3' ' N ' ' D' ' 65' ' ' LEU . 10.3 pt-20 -48.34 -37.64 17.14 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.972 -0.558 . . . . 9.1600000000000001 110.583 179.581 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 65' ' ' LEU . . . . . 0.419 ' N ' ' HG3' ' D' ' 64' ' ' GLU . 0.1 OUTLIER -63.04 -40.48 97.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.953 -0.567 . . . . 7.5899999999999999 110.614 179.653 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' D' D ' 66' ' ' VAL . . . . . . . . . . . . . 3.6 t -64.11 -38.62 82.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.068 -0.514 . . . . 6.4400000000000004 110.964 179.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.96 -63.77 1.05 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.086 -0.506 . . . . 13.68 110.804 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 68' ' ' LYS . . . . . . . . . . . . . 1.3 ttmp? -50.77 -32.31 19.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.22 -0.445 . . . . 18.489999999999998 110.596 179.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 69' ' ' MET . . . . . . . . . . . . . 26.3 ttp -68.06 -53.53 24.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.011 -0.541 . . . . 12.93 110.668 179.65 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 70' ' ' VAL . . . . . . . . . . . . . 58.7 t -69.89 -24.88 27.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.06 -0.518 . . . . 15.550000000000001 110.862 179.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 26.2 t80 -59.97 -46.04 90.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 25.260000000000002 110.617 179.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.58 -46.39 79.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 28.149999999999999 110.63 179.699 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 73' ' ' THR . . . . . 0.434 ' CG2' HD13 ' B' ' 58' ' ' LEU . 97.3 m -51.82 -60.72 2.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.101 -0.5 . . . . 23.399999999999999 110.864 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 74' ' ' LEU . . . . . . . . . . . . . 29.3 mt -50.36 -47.35 56.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.487 . . . . 21.66 110.919 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 75' ' ' LYS . . . . . . . . . . . . . 6.6 tttt -49.98 -41.34 46.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.939 0.399 . . . . 25.989999999999998 110.795 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 76' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -79.28 -26.64 42.3 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.991 -0.55 . . . . 29.550000000000001 110.729 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 77' ' ' LEU . . . . . . . . . . . . . 18.9 mt -67.5 -46.38 73.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.07 -0.514 . . . . 30.66 111.039 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 78' ' ' TYR . . . . . 0.413 ' CD2' ' HB3' ' C' ' 55' ' ' ALA . 2.5 m-85 -71.11 -60.43 2.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.096 -0.502 . . . . 32.5 111.145 -179.847 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 79' ' ' LYS . . . . . . . . . . . . . 16.6 ptmt . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 42.229999999999997 111.123 -179.715 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.4 ' HB1' ' CD1' ' B' ' 78' ' ' TYR . . . . . . . . 0 N--CA 1.457 -0.116 0 CA-C-O 120.884 0.373 . . . . 34.299999999999997 110.61 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -67.51 -55.93 11.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.083 -0.508 . . . . 30.16 110.426 179.534 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.49 -42.2 91.61 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.794 -0.639 . . . . 35.549999999999997 110.41 179.491 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 14.5 mt -58.08 -47.4 83.33 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.905 -0.589 . . . . 32.759999999999998 110.644 179.604 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.6 -38.85 56.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 24.460000000000001 110.996 179.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.7 -28.59 64.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.06 -0.518 . . . . 20.850000000000001 110.677 179.773 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -78.74 -40.28 33.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 22.800000000000001 110.651 179.811 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 54.6 mm-40 -66.82 -40.29 87.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.054 -0.521 . . . . 19.850000000000001 110.44 179.652 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.9 p -62.77 -38.22 89.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 18.329999999999998 110.548 179.634 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.408 ' HA ' ' HG2' ' A' ' 67' ' ' LYS . 1.9 mm-40 -60.49 -37.53 81.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 21.039999999999999 110.731 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.79 -34.04 77.41 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.132 -0.486 . . . . 20.850000000000001 110.726 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.404 ' HA ' ' HG2' ' A' ' 69' ' ' MET . 48.2 t -81.99 -33.43 11.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 13.449999999999999 111.624 -179.757 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.408 ' HG2' ' HA ' ' A' ' 64' ' ' GLU . 14.0 ptmt -73.94 -30.37 62.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.981 0.42 . . . . 9.0700000000000003 110.384 179.672 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 13.7 ttmt -74.49 -44.22 52.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.848 -0.615 . . . . 19.82 110.445 179.619 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.404 ' HG2' ' HA ' ' A' ' 66' ' ' VAL . 6.4 ptt? -63.44 -37.47 87.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.26 -0.427 . . . . 10.99 110.261 179.575 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 46.9 t -70.69 -40.19 76.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.014 -0.539 . . . . 9.2599999999999998 110.309 179.234 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.427 ' O ' ' CB ' ' A' ' 75' ' ' LYS . 67.0 t80 -54.15 -59.69 4.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.057 -0.52 . . . . 22.23 110.224 179.446 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -53.33 -46.16 69.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 14.619999999999999 110.474 179.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.3 m -60.65 -70.23 0.19 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.22 -0.446 . . . . 8.2799999999999994 110.199 179.519 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.486 ' HB3' ' CE2' ' A' ' 78' ' ' TYR . 15.5 mt -51.41 -35.66 40.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 15.58 110.944 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.427 ' CB ' ' O ' ' A' ' 71' ' ' PHE . 8.3 tttt -55.43 -68.61 0.18 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.108 -0.496 . . . . 18.969999999999999 110.186 179.474 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.19 -31.21 72.3 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.651 -0.704 . . . . 18.82 110.76 179.677 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.411 ' HB3' ' HA ' ' A' ' 74' ' ' LEU . 1.7 tp -64.88 -46.13 83.07 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.421 -0.354 . . . . 20.719999999999999 110.457 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.486 ' CE2' ' HB3' ' A' ' 74' ' ' LEU . 21.2 m-30 -71.37 -23.2 61.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 29.260000000000002 110.595 179.523 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.1 tppp? -74.55 -28.99 61.19 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.326 -0.397 . . . . 26.18 110.507 179.608 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 2.2 mttm -68.29 -36.28 79.14 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.13 -0.486 . . . . 31.350000000000001 110.821 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.076 -0.511 . . . . 34.060000000000002 110.879 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.757 0.313 . . . . 32.399999999999999 111.042 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -52.13 -43.23 63.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.291 -0.413 . . . . 30.260000000000002 110.774 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -71.75 -49.44 39.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.018 -0.537 . . . . 31.399999999999999 110.516 179.672 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -54.97 -34.99 63.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 23.629999999999999 110.522 179.612 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 8.6 mt -65.45 -60.95 2.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.951 -0.568 . . . . 20.289999999999999 110.712 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -45.75 -32.66 2.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.941 -0.572 . . . . 21.140000000000001 111.182 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 46.7 t0 -65.05 -43.98 90.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.96 -0.564 . . . . 23.57 110.474 179.699 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 62.0 mm-40 -66.31 -34.99 79.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.108 -0.497 . . . . 17.48 110.496 179.63 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . 0.473 ' CB ' ' CD1' ' A' ' 74' ' ' LEU . 3.0 mm-40 -70.36 -45.76 65.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.058 -0.519 . . . . 12.210000000000001 110.574 179.572 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.03 -60.39 3.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.071 -0.513 . . . . 15.300000000000001 110.573 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -51.2 -33.05 25.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.313 -0.403 . . . . 11.67 110.407 179.612 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.35 -49.09 62.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.934 -0.575 . . . . 10.039999999999999 110.446 179.574 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 26.2 t -64.35 -32.74 58.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 7.5 111.003 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -59.61 -60.48 3.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.112 -0.495 . . . . 7.1600000000000001 110.795 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 20.1 tttt -53.91 -34.09 58.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.919 0.39 . . . . 15.31 110.666 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 69' ' ' MET . . . . . 0.43 ' CE ' ' HB3' ' D' ' 62' ' ' GLN . 47.8 ttp -65.6 -49.51 68.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.066 -0.515 . . . . 12.51 110.451 179.736 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 92.3 t -74.67 -24.38 18.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.97 -0.559 . . . . 14.949999999999999 110.935 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 28.3 t80 -61.43 -43.76 98.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.278 -0.419 . . . . 20.75 110.58 179.706 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -68.77 -43.46 75.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 26.390000000000001 110.581 179.746 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 73' ' ' THR . . . . . . . . . . . . . 88.9 m -57.87 -55.47 34.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.208 -0.451 . . . . 24.969999999999999 110.84 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 85.3 mt -54.06 -42.11 68.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 23.699999999999999 110.705 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.03 -42.33 60.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 25.120000000000001 110.699 179.8 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 76' ' ' ASP . . . . . 0.426 ' HA ' ' CD ' ' B' ' 79' ' ' LYS . 8.4 m-20 -80.05 -23.85 41.09 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.962 -0.563 . . . . 28.030000000000001 110.982 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . 0.472 ' CD1' ' CD1' ' C' ' 78' ' ' TYR . 26.4 mt -69.66 -35.04 74.82 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.215 -0.448 . . . . 28.91 111.13 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 78' ' ' TYR . . . . . 0.4 ' CD1' ' HB1' ' A' ' 55' ' ' ALA . 24.3 m-85 -81.18 -58.56 3.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.304 -0.407 . . . . 31.300000000000001 111.08 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 79' ' ' LYS . . . . . 0.426 ' CD ' ' HA ' ' B' ' 76' ' ' ASP . 1.5 pttt . . . . . 0 C--N 1.331 -0.235 0 CA-C-N 116.263 -0.426 . . . . 44.229999999999997 111.034 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.156 0 CA-C-O 120.9 0.381 . . . . 33.520000000000003 110.578 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -67.6 -55.93 11.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.929 -0.578 . . . . 30.07 110.401 179.596 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.37 -42.59 91.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.865 -0.607 . . . . 33.340000000000003 110.386 179.539 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 14.8 mt -57.72 -47.39 82.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.829 -0.623 . . . . 25.719999999999999 110.669 179.664 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.74 -38.61 56.05 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.105 -0.498 . . . . 22.48 110.857 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.97 -28.57 64.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 26.149999999999999 110.631 179.825 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -78.78 -40.03 34.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 26.129999999999999 110.716 179.737 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 53.9 mm-40 -67.03 -40.21 87.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.01 -0.541 . . . . 24.609999999999999 110.451 179.638 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 63' ' ' SER . . . . . 0.417 ' HB2' ' CG ' ' D' ' 67' ' ' LYS . 4.9 p -62.86 -38.38 90.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.087 -0.506 . . . . 16.719999999999999 110.474 179.687 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 64' ' ' GLU . . . . . 0.405 ' HA ' ' HG2' ' C' ' 67' ' ' LYS . 1.9 mm-40 -60.33 -37.54 80.94 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.115 -0.493 . . . . 21.52 110.772 179.795 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 65' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.75 -34.2 77.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 16.23 110.782 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 66' ' ' VAL . . . . . 0.405 ' O ' ' HG2' ' C' ' 69' ' ' MET . 48.0 t -81.84 -33.39 11.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 12.710000000000001 111.66 -179.755 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 67' ' ' LYS . . . . . 0.405 ' HG2' ' HA ' ' C' ' 64' ' ' GLU . 14.0 ptmt -74.18 -30.08 62.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.93 0.395 . . . . 19.859999999999999 110.317 179.832 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 68' ' ' LYS . . . . . . . . . . . . . 13.7 ttmt -74.7 -44.25 51.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.916 -0.584 . . . . 17.52 110.434 179.6 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 69' ' ' MET . . . . . 0.405 ' HG2' ' O ' ' C' ' 66' ' ' VAL . 6.3 ptt? -63.28 -37.44 87.25 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.239 -0.437 . . . . 8.1899999999999995 110.233 179.467 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 48.0 t -70.81 -40.12 76.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.997 -0.547 . . . . 7.8099999999999996 110.298 179.28 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 71' ' ' PHE . . . . . 0.426 ' O ' ' CB ' ' C' ' 75' ' ' LYS . 66.5 t80 -54.26 -59.73 4.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 8.1500000000000004 110.168 179.485 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -53.2 -46.09 68.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.268 -0.424 . . . . 10.029999999999999 110.511 179.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 73' ' ' THR . . . . . . . . . . . . . 18.1 m -60.83 -70.28 0.19 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 14.48 110.209 179.586 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 74' ' ' LEU . . . . . 0.48 ' CD1' ' CB ' ' D' ' 62' ' ' GLN . 15.3 mt -51.43 -35.42 39.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.066 -0.515 . . . . 18.75 110.949 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 75' ' ' LYS . . . . . 0.426 ' CB ' ' O ' ' C' ' 71' ' ' PHE . 8.3 tttt -55.76 -68.4 0.21 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.204 -0.453 . . . . 18.370000000000001 110.218 179.465 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 76' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.13 -31.38 72.5 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.723 -0.671 . . . . 14.66 110.794 179.534 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 1.7 tp -64.65 -46.28 83.18 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.354 -0.384 . . . . 20.350000000000001 110.53 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 78' ' ' TYR . . . . . 0.472 ' CD1' ' CD1' ' B' ' 77' ' ' LEU . 21.2 m-30 -71.32 -23.21 61.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 23.5 110.641 179.568 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 1.1 tppp? -74.51 -29.18 61.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.298 -0.41 . . . . 29.870000000000001 110.491 179.525 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 2.2 mttm -67.94 -36.52 80.28 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.149 -0.478 . . . . 26.989999999999998 110.832 179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 81' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.081 -0.509 . . . . 33.810000000000002 110.953 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.733 0.302 . . . . 35.399999999999999 111.109 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' D' D ' 55' ' ' ALA . . . . . . . . . . . . . . . -52.06 -43.06 63.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.943 0.401 . . . . 35.469999999999999 110.82 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -71.87 -49.41 38.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.055 -0.52 . . . . 31.739999999999998 110.538 179.647 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 57' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -54.96 -35.13 63.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 34.600000000000001 110.516 179.596 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 58' ' ' LEU . . . . . . . . . . . . . 8.5 mt -65.37 -60.6 2.8 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.008 -0.542 . . . . 22.170000000000002 110.747 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 59' ' ' ALA . . . . . . . . . . . . . . . -46.21 -32.41 3.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.919 -0.582 . . . . 18.199999999999999 111.091 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 60' ' ' ASP . . . . . . . . . . . . . 46.9 t0 -65.23 -44.2 88.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.095 -0.502 . . . . 19.420000000000002 110.481 179.649 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 61' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 -65.84 -35.16 79.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 13.42 110.5 179.617 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 62' ' ' GLN . . . . . 0.48 ' CB ' ' CD1' ' C' ' 74' ' ' LEU . 2.9 mm-40 -70.22 -46.5 64.39 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.86 -0.609 . . . . 15.220000000000001 110.513 179.643 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 63' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.35 -60.35 3.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.087 -0.506 . . . . 16.739999999999998 110.652 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 64' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -51.2 -33.17 26.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.26 -0.427 . . . . 16.27 110.422 179.658 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.22 -49.18 62.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.994 -0.548 . . . . 9.0800000000000001 110.424 179.492 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 66' ' ' VAL . . . . . . . . . . . . . 27.4 t -64.2 -32.84 59.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.169 -0.469 . . . . 9.75 111.018 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 67' ' ' LYS . . . . . 0.417 ' CG ' ' HB2' ' C' ' 63' ' ' SER . 0.9 OUTLIER -59.57 -60.31 4.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.05 -0.523 . . . . 21.640000000000001 110.873 179.939 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' D' D ' 68' ' ' LYS . . . . . . . . . . . . . 20.1 tttt -54.0 -34.21 59.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.425 . . . . 16.059999999999999 110.662 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 69' ' ' MET . . . . . 0.418 ' CE ' ' HB3' ' B' ' 62' ' ' GLN . 47.0 ttp -65.44 -49.29 69.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.063 -0.517 . . . . 11.970000000000001 110.569 179.632 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 70' ' ' VAL . . . . . . . . . . . . . 93.6 t -74.85 -24.39 18.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.953 -0.567 . . . . 13.970000000000001 110.991 179.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 28.5 t80 -61.38 -43.84 98.17 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.3 -0.409 . . . . 22.629999999999999 110.55 179.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -68.73 -43.38 76.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.066 -0.515 . . . . 25.379999999999999 110.73 179.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 73' ' ' THR . . . . . . . . . . . . . 87.8 m -57.99 -55.4 35.35 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.162 -0.472 . . . . 20.289999999999999 110.826 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 74' ' ' LEU . . . . . . . . . . . . . 85.4 mt -54.01 -42.24 68.88 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.138 -0.483 . . . . 24.789999999999999 110.746 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 75' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -50.86 -42.3 58.75 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.17 -0.468 . . . . 30.699999999999999 110.755 179.78 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 76' ' ' ASP . . . . . 0.428 ' HA ' ' CD ' ' D' ' 79' ' ' LYS . 8.5 m-20 -79.96 -24.23 41.12 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.99 -0.55 . . . . 30.789999999999999 111.023 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 77' ' ' LEU . . . . . 0.465 ' CD1' ' CD1' ' A' ' 78' ' ' TYR . 26.3 mt -69.31 -35.24 75.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.138 -0.483 . . . . 29.23 111.06 -179.848 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 78' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -81.13 -58.26 3.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.275 -0.421 . . . . 34.479999999999997 111.156 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 79' ' ' LYS . . . . . 0.428 ' CD ' ' HA ' ' D' ' 76' ' ' ASP . 1.5 pttt . . . . . 0 C--N 1.331 -0.237 0 CA-C-N 116.229 -0.442 . . . . 39.840000000000003 111.008 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.142 0 CA-C-O 120.914 0.388 . . . . 36.420000000000002 110.785 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 77.3 tt0 -62.48 -51.23 68.28 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.135 -0.484 . . . . 31.620000000000001 110.437 179.598 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 2.7 ttp180 -64.11 -46.88 82.25 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.875 -0.602 . . . . 39.780000000000001 110.386 179.587 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 14.6 mt -53.95 -46.41 71.57 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.881 -0.6 . . . . 28.670000000000002 110.551 179.581 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.65 -41.91 61.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.07 -0.514 . . . . 20.850000000000001 110.609 179.701 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -66.1 -32.23 73.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.888 -0.596 . . . . 21.079999999999998 110.515 179.617 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -68.86 -45.87 69.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.079 -0.509 . . . . 22.449999999999999 110.615 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 38.4 mm-40 -63.68 -38.11 89.87 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.029 -0.532 . . . . 25.469999999999999 110.487 179.645 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.7 m -62.48 -40.39 96.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.02 -0.537 . . . . 18.050000000000001 110.543 179.642 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -59.1 -36.59 75.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.019 -0.537 . . . . 25.960000000000001 110.6 179.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.1 mt -63.8 -41.35 97.93 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.028 -0.533 . . . . 19.0 110.74 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 36.9 t -74.71 -45.36 44.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 15.470000000000001 110.71 179.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.7 tttm -58.5 -56.37 23.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.007 -0.542 . . . . 12.83 110.57 179.647 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.39 -31.28 61.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.263 -0.426 . . . . 13.99 110.483 179.76 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 66.5 ttp -69.62 -39.18 77.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.038 -0.528 . . . . 8.9299999999999997 110.665 179.709 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 70.2 t -74.24 -35.74 41.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.05 -0.523 . . . . 10.06 110.869 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.43 ' O ' ' CB ' ' A' ' 75' ' ' LYS . 56.3 t80 -56.25 -63.68 1.11 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.4 -0.364 . . . . 14.380000000000001 110.517 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -51.05 -40.32 58.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.37 -0.377 . . . . 12.67 110.643 179.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 21.7 m -66.44 -73.34 0.13 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.242 -0.435 . . . . 12.109999999999999 110.385 179.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.477 ' CD1' ' CB ' ' B' ' 62' ' ' GLN . 17.4 mt -49.57 -36.85 25.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.035 -0.53 . . . . 15.23 111.028 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.43 ' CB ' ' O ' ' A' ' 71' ' ' PHE . 10.4 tttt -57.32 -67.51 0.32 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.192 0.52 . . . . 13.74 109.971 179.332 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.16 -26.89 69.02 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.558 -0.746 . . . . 17.030000000000001 110.786 179.699 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.407 ' HB3' ' HA ' ' A' ' 74' ' ' LEU . 0.6 OUTLIER -68.21 -59.75 2.98 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.43 -0.35 . . . . 21.289999999999999 110.437 179.831 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.522 ' CD1' ' CD1' ' D' ' 77' ' ' LEU . 20.0 m-85 -60.21 -24.49 64.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.881 0.372 . . . . 26.949999999999999 110.38 179.372 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 8.4 tttt -66.11 -35.62 80.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 26.489999999999998 110.39 179.571 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.95 -30.36 69.64 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.004 -0.544 . . . . 27.649999999999999 110.888 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.147 -0.478 . . . . 34.380000000000003 110.879 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.528 0.122 0 CA-C-O 120.641 0.258 . . . . 33.460000000000001 111.454 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -48.96 -39.02 24.81 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.908 0.385 . . . . 31.199999999999999 111.211 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -77.48 -48.27 17.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.146 -0.479 . . . . 31.629999999999999 110.686 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 20.2 mmm180 -54.02 -35.71 62.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.015 0.436 . . . . 29.309999999999999 110.388 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . 0.419 ' O ' ' CG ' ' B' ' 62' ' ' GLN . 13.3 mt -65.59 -63.86 1.0 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.916 -0.584 . . . . 22.73 110.842 179.814 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -46.69 -27.39 1.16 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.836 -0.62 . . . . 21.16 111.326 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.02 -60.75 2.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 20.079999999999998 110.92 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -60.11 -24.43 64.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.308 -0.406 . . . . 12.699999999999999 110.628 179.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . 0.477 ' CB ' ' CD1' ' A' ' 74' ' ' LEU . 2.4 mm-40 -72.79 -43.99 62.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.099 -0.5 . . . . 11.4 111.011 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 1.4 m -64.39 -59.33 4.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.331 -0.395 . . . . 17.390000000000001 110.817 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -48.96 -33.41 10.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.47 . . . . 17.710000000000001 110.934 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.97 -44.0 86.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.056 -0.52 . . . . 11.460000000000001 110.898 179.77 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 3.4 t -62.99 -35.24 70.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.09 -0.505 . . . . 10.199999999999999 111.392 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.56 -54.3 47.12 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.268 -0.424 . . . . 16.789999999999999 110.982 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 14.4 tttt -54.43 -35.82 63.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.304 -0.407 . . . . 10.44 111.005 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 69' ' ' MET . . . . . . . . . . . . . 40.1 ttp -68.87 -50.93 45.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 11.25 110.828 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 58.7 t -75.02 -20.04 16.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 11.02 111.367 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -66.63 -43.99 83.2 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.884 0.373 . . . . 18.27 110.689 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -68.65 -43.26 76.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 23.829999999999998 110.707 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 73' ' ' THR . . . . . 0.406 ' OG1' ' NE2' ' D' ' 62' ' ' GLN . 55.8 m -56.16 -55.94 27.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 23.620000000000001 110.935 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 24.5 mt -49.96 -41.09 45.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.434 . . . . 27.350000000000001 110.925 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.63 -47.03 63.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.968 0.414 . . . . 30.940000000000001 110.561 179.773 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.93 -32.09 67.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.907 -0.588 . . . . 28.859999999999999 110.532 179.675 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . 0.494 ' CD1' ' CD1' ' C' ' 78' ' ' TYR . 20.3 mt -61.51 -53.19 59.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.972 -0.558 . . . . 29.219999999999999 110.684 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -73.94 -36.56 64.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.082 -0.508 . . . . 34.299999999999997 110.707 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.083 -0.508 . . . . 41.43 111.043 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.877 0.37 . . . . 31.66 110.753 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 77.6 tt0 -62.92 -51.04 68.47 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.232 -0.44 . . . . 28.260000000000002 110.407 179.676 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 57' ' ' ARG . . . . . . . . . . . . . 2.8 ttp180 -64.21 -46.76 82.48 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.873 -0.603 . . . . 28.460000000000001 110.394 179.537 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 14.7 mt -54.02 -46.6 71.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.815 -0.63 . . . . 30.690000000000001 110.571 179.583 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.42 -42.0 61.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 26.289999999999999 110.677 179.634 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 27.8 t0 -66.07 -32.18 73.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.923 -0.58 . . . . 25.780000000000001 110.518 179.583 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -68.83 -45.81 70.19 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.085 -0.507 . . . . 26.640000000000001 110.611 179.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 38.4 mm-40 -63.79 -37.88 89.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.0 -0.546 . . . . 19.68 110.524 179.657 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 63' ' ' SER . . . . . . . . . . . . . 3.6 m -62.65 -40.36 96.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.021 -0.536 . . . . 16.370000000000001 110.493 179.608 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -59.12 -36.63 75.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 15.390000000000001 110.591 179.702 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 65' ' ' LEU . . . . . . . . . . . . . 1.2 mt -63.6 -41.49 98.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.079 -0.51 . . . . 18.84 110.765 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 66' ' ' VAL . . . . . . . . . . . . . 38.5 t -74.54 -45.53 45.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 9.7799999999999994 110.739 179.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 67' ' ' LYS . . . . . . . . . . . . . 13.4 tttm -58.61 -56.01 27.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.972 -0.558 . . . . 18.420000000000002 110.582 179.752 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.59 -31.55 62.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 21.93 110.387 179.683 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 69' ' ' MET . . . . . . . . . . . . . 66.5 ttp -69.46 -39.2 77.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.086 -0.506 . . . . 9.4900000000000002 110.631 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 74.2 t -74.07 -35.97 43.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.075 -0.511 . . . . 6.5700000000000003 110.933 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 71' ' ' PHE . . . . . 0.422 ' O ' ' CB ' ' C' ' 75' ' ' LYS . 56.0 t80 -56.03 -63.9 1.03 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.395 -0.366 . . . . 19.510000000000002 110.569 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -50.97 -40.33 57.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.352 -0.385 . . . . 11.59 110.623 179.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 73' ' ' THR . . . . . . . . . . . . . 22.3 m -66.54 -73.32 0.14 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.295 -0.412 . . . . 11.49 110.393 179.652 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 74' ' ' LEU . . . . . 0.445 ' CD1' ' CB ' ' D' ' 62' ' ' GLN . 16.6 mt -49.51 -36.99 24.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 19.140000000000001 110.977 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 75' ' ' LYS . . . . . 0.422 ' CB ' ' O ' ' C' ' 71' ' ' PHE . 10.4 tttt -57.21 -67.48 0.32 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.228 0.537 . . . . 21.620000000000001 110.055 179.355 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 76' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.16 -26.84 69.0 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.465 -0.789 . . . . 16.850000000000001 110.804 179.677 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 77' ' ' LEU . . . . . 0.416 ' HB3' ' HA ' ' C' ' 74' ' ' LEU . 0.6 OUTLIER -68.39 -59.65 3.02 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.309 -0.405 . . . . 20.59 110.389 179.938 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' C' C ' 78' ' ' TYR . . . . . 0.494 ' CD1' ' CD1' ' B' ' 77' ' ' LEU . 20.0 m-85 -60.17 -24.61 64.89 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.887 0.375 . . . . 26.960000000000001 110.369 179.391 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 8.3 tttt -65.91 -35.7 81.35 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.06 -0.518 . . . . 27.300000000000001 110.439 179.595 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.94 -30.25 69.51 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.977 -0.556 . . . . 30.620000000000001 110.942 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.136 -0.484 . . . . 34.060000000000002 110.819 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.529 0.152 0 CA-C-O 120.582 0.23 . . . . 33.509999999999998 111.426 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 55' ' ' ALA . . . . . . . . . . . . . . . -49.06 -39.09 26.27 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.853 0.359 . . . . 33.399999999999999 111.213 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -77.37 -48.3 17.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.489 . . . . 30.649999999999999 110.725 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 57' ' ' ARG . . . . . . . . . . . . . 20.2 mmm180 -53.94 -35.7 62.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.284 -0.416 . . . . 23.289999999999999 110.418 179.72 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 58' ' ' LEU . . . . . 0.428 ' O ' ' CG ' ' D' ' 62' ' ' GLN . 13.6 mt -65.63 -63.65 1.04 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.885 -0.598 . . . . 19.129999999999999 110.73 179.845 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 59' ' ' ALA . . . . . . . . . . . . . . . -46.8 -27.59 1.26 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.841 -0.618 . . . . 18.789999999999999 111.35 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 60' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.73 -61.02 1.99 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.174 -0.466 . . . . 24.890000000000001 110.767 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 61' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -59.94 -24.43 64.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 16.899999999999999 110.707 179.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 62' ' ' GLN . . . . . 0.445 ' CB ' ' CD1' ' C' ' 74' ' ' LEU . 2.4 mm-40 -72.64 -43.89 62.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.096 -0.502 . . . . 15.93 110.969 179.819 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 63' ' ' SER . . . . . . . . . . . . . 1.4 m -64.89 -58.79 5.23 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.348 -0.387 . . . . 14.44 110.992 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 64' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -49.33 -33.33 13.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 8.8499999999999996 110.811 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.13 -44.14 85.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.007 -0.542 . . . . 7.4199999999999999 110.841 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 66' ' ' VAL . . . . . . . . . . . . . 3.4 t -62.9 -35.12 69.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 7.1799999999999997 111.411 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 67' ' ' LYS . . . . . 0.417 ' O ' ' N ' ' D' ' 71' ' ' PHE . 0.2 OUTLIER -60.68 -54.23 47.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.238 -0.437 . . . . 16.100000000000001 111.047 -179.866 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' D' D ' 68' ' ' LYS . . . . . . . . . . . . . 14.4 tttt -54.46 -35.78 63.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.349 -0.387 . . . . 20.129999999999999 111.005 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 69' ' ' MET . . . . . . . . . . . . . 40.5 ttp -68.73 -50.89 46.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.181 -0.463 . . . . 13.42 110.874 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 70' ' ' VAL . . . . . . . . . . . . . 58.5 t -74.97 -20.38 16.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 16.050000000000001 111.464 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 71' ' ' PHE . . . . . 0.417 ' N ' ' O ' ' D' ' 67' ' ' LYS . 23.2 t80 -66.21 -44.21 84.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.889 0.376 . . . . 26.379999999999999 110.649 179.788 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -68.52 -43.47 76.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.097 -0.502 . . . . 29.170000000000002 110.749 179.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 73' ' ' THR . . . . . . . . . . . . . 55.5 m -55.92 -55.89 27.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.102 -0.499 . . . . 22.579999999999998 110.983 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 74' ' ' LEU . . . . . . . . . . . . . 24.4 mt -50.13 -41.01 47.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 21.239999999999998 111.001 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.71 -46.64 63.98 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.303 -0.408 . . . . 26.879999999999999 110.58 179.739 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 76' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.18 -32.16 66.58 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.991 -0.549 . . . . 31.43 110.591 179.628 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 77' ' ' LEU . . . . . 0.522 ' CD1' ' CD1' ' A' ' 78' ' ' TYR . 20.3 mt -61.46 -53.22 59.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.985 -0.552 . . . . 30.809999999999999 110.705 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 78' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -73.83 -36.53 64.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.066 -0.515 . . . . 32.729999999999997 110.774 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.057 -0.52 . . . . 40.740000000000002 111.015 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.728 0.299 . . . . 31.359999999999999 111.093 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -66.12 -53.21 40.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.361 -0.381 . . . . 27.890000000000001 110.657 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 72.0 mtt-85 -62.46 -45.72 91.78 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.069 -0.514 . . . . 26.59 110.47 179.606 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 13.0 mt -53.75 -49.14 68.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.721 -0.672 . . . . 28.84 110.755 179.681 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -52.23 -40.83 62.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.171 -0.468 . . . . 25.559999999999999 110.775 179.714 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -71.4 -27.71 63.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.073 -0.512 . . . . 26.629999999999999 110.54 179.638 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -76.03 -51.47 12.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.034 -0.53 . . . . 27.309999999999999 110.673 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 63.0 mm-40 -55.08 -46.38 75.44 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.879 -0.6 . . . . 20.010000000000002 110.7 179.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 20.2 p -61.96 -42.4 99.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.217 -0.447 . . . . 16.059999999999999 110.507 179.649 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -52.69 -36.26 56.86 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.121 -0.491 . . . . 16.800000000000001 110.361 179.549 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.6 mt -67.71 -41.55 83.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.996 -0.547 . . . . 17.82 110.421 179.539 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 44.7 t -67.15 -41.51 87.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.058 -0.519 . . . . 10.57 110.707 179.511 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -63.7 -45.85 88.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.022 -0.536 . . . . 20.109999999999999 110.549 179.737 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 31.2 ttpt -58.98 -35.7 73.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.104 -0.498 . . . . 22.739999999999998 110.487 179.702 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 30.9 ttp -67.41 -39.54 85.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.001 -0.545 . . . . 8.2899999999999991 110.632 179.665 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 94.8 t -71.37 -42.59 73.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.054 -0.521 . . . . 5.5800000000000001 110.949 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.473 ' CZ ' ' HD3' ' A' ' 75' ' ' LYS . 59.2 t80 -51.55 -62.98 1.29 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.833 0.349 . . . . 16.870000000000001 110.459 179.801 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -51.23 -43.27 61.42 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.232 -0.44 . . . . 9.5500000000000007 110.631 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 20.6 m -66.67 -71.15 0.21 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.471 . . . . 12.779999999999999 110.414 179.668 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.479 ' HB3' ' CE2' ' A' ' 78' ' ' TYR . 15.6 mt -48.32 -36.09 13.62 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.13 -0.486 . . . . 19.59 110.971 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.473 ' HD3' ' CZ ' ' A' ' 71' ' ' PHE . 0.1 OUTLIER -56.81 -66.37 0.46 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 24.129999999999999 110.185 179.555 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -64.89 -28.4 69.51 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.712 -0.676 . . . . 15.76 110.932 179.742 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.412 ' HB3' ' HA ' ' A' ' 74' ' ' LEU . 0.9 OUTLIER -66.86 -57.7 6.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.281 -0.418 . . . . 20.879999999999999 110.548 179.925 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.479 ' CE2' ' HB3' ' A' ' 74' ' ' LEU . 22.1 m-85 -61.54 -25.53 67.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.451 . . . . 25.940000000000001 110.65 179.831 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 11.7 mmtt -71.12 -30.01 65.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 28.039999999999999 110.702 179.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.14 -36.34 72.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.13 -0.486 . . . . 29.989999999999998 110.988 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 33.82 110.876 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.457 -0.088 0 CA-C-O 120.86 0.362 . . . . 34.289999999999999 110.76 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.97 -40.09 72.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.081 -0.509 . . . . 34.030000000000001 111.071 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -68.71 -42.61 77.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 31.379999999999999 110.784 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 11.1 mtm180 -62.94 -33.98 76.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 23.48 110.753 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . 0.44 ' CD1' ' CG2' ' D' ' 73' ' ' THR . 91.9 mt -71.23 -51.38 24.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.098 -0.501 . . . . 19.43 110.734 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.0 -31.75 19.07 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.975 -0.557 . . . . 18.879999999999999 111.096 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 63.0 t0 -81.41 -51.71 8.03 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.189 -0.459 . . . . 22.870000000000001 110.927 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -59.05 -41.57 88.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.19 -0.459 . . . . 16.489999999999998 110.789 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . 0.426 ' HB3' ' CD1' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -73.34 -42.05 62.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 16.030000000000001 111.131 -179.933 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 96.6 p -65.66 -55.76 15.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.414 -0.357 . . . . 14.529999999999999 110.953 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -50.21 -37.12 33.72 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.263 -0.426 . . . . 9.5899999999999999 110.696 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.97 -44.5 94.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.065 -0.516 . . . . 6.8399999999999999 110.559 179.673 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 56.1 t -56.06 -32.67 34.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.276 -0.42 . . . . 7.96 110.782 179.647 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.81 -54.29 44.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.074 -0.512 . . . . 18.73 110.823 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 6.3 tttt -57.99 -34.54 70.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.343 -0.389 . . . . 19.75 110.651 179.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 69' ' ' MET . . . . . . . . . . . . . 25.0 ttp -70.46 -49.93 43.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.002 -0.544 . . . . 12.94 110.763 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 98.4 t -74.37 -22.74 17.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 15.380000000000001 110.9 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -64.52 -41.76 96.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.361 -0.382 . . . . 26.530000000000001 110.589 179.754 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -69.81 -43.13 72.69 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.193 -0.458 . . . . 27.829999999999998 110.646 179.722 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 73' ' ' THR . . . . . 0.423 HG22 ' CD2' ' D' ' 58' ' ' LEU . 90.9 m -54.76 -56.39 19.76 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.144 -0.48 . . . . 21.129999999999999 110.815 179.764 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 10.0 mt -54.27 -41.03 68.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.291 -0.413 . . . . 21.16 110.696 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.72 -41.05 55.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 27.739999999999998 110.656 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.19 -26.11 39.37 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.987 -0.552 . . . . 30.550000000000001 110.707 179.808 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 27.9 mt -68.33 -36.2 78.93 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.067 -0.515 . . . . 30.300000000000001 110.936 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -81.72 -61.59 1.88 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 33.549999999999997 110.971 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 40.100000000000001 111.107 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.741 0.305 . . . . 35.409999999999997 111.134 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -65.9 -53.37 40.37 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.981 0.42 . . . . 31.23 110.658 179.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 57' ' ' ARG . . . . . . . . . . . . . 72.1 mtt-85 -62.37 -45.75 91.75 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.032 -0.531 . . . . 38.590000000000003 110.411 179.697 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 13.1 mt -53.78 -49.04 69.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.841 -0.618 . . . . 29.559999999999999 110.72 179.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -52.39 -40.53 62.19 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.123 -0.49 . . . . 20.41 110.833 179.751 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -71.68 -27.79 63.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.494 . . . . 18.84 110.456 179.718 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -75.88 -51.58 12.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.03 -0.532 . . . . 20.870000000000001 110.68 179.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 62' ' ' GLN . . . . . 0.414 ' HB2' ' CD1' ' D' ' 74' ' ' LEU . 63.1 mm-40 -54.99 -46.44 75.15 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.924 -0.58 . . . . 24.289999999999999 110.61 179.809 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 63' ' ' SER . . . . . . . . . . . . . 19.6 p -61.91 -42.25 98.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.425 . . . . 18.050000000000001 110.453 179.685 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -52.94 -36.13 59.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 26.039999999999999 110.338 179.588 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 65' ' ' LEU . . . . . . . . . . . . . 3.6 mt -68.0 -41.28 82.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.027 -0.533 . . . . 19.59 110.4 179.616 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 66' ' ' VAL . . . . . . . . . . . . . 44.9 t -67.43 -41.38 86.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.109 -0.496 . . . . 16.390000000000001 110.608 179.549 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 67' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -63.7 -46.0 87.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.983 -0.553 . . . . 9.8399999999999999 110.497 179.668 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 68' ' ' LYS . . . . . . . . . . . . . 31.1 ttpt -58.79 -35.79 73.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 14.34 110.385 179.693 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 69' ' ' MET . . . . . . . . . . . . . 30.6 ttp -67.47 -39.5 85.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.035 -0.529 . . . . 9.6699999999999999 110.624 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 70' ' ' VAL . . . . . 0.403 ' CG1' ' HG ' ' C' ' 74' ' ' LEU . 93.0 t -71.46 -42.3 72.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.065 -0.516 . . . . 10.69 110.98 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 71' ' ' PHE . . . . . 0.47 ' CZ ' ' HD3' ' C' ' 75' ' ' LYS . 59.4 t80 -51.81 -62.78 1.42 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.459 -0.337 . . . . 16.84 110.512 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -51.27 -43.23 61.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.279 -0.419 . . . . 13.109999999999999 110.641 179.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 73' ' ' THR . . . . . . . . . . . . . 20.7 m -66.75 -71.2 0.21 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 10.65 110.389 179.691 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 74' ' ' LEU . . . . . 0.484 ' HB3' ' CE2' ' C' ' 78' ' ' TYR . 15.6 mt -48.16 -36.16 13.02 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.076 -0.511 . . . . 14.380000000000001 111.04 179.822 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 75' ' ' LYS . . . . . 0.47 ' HD3' ' CZ ' ' C' ' 71' ' ' PHE . 0.1 OUTLIER -56.76 -66.32 0.46 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.185 -0.462 . . . . 14.449999999999999 110.2 179.507 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' C' C ' 76' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -65.0 -28.49 69.54 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.686 -0.688 . . . . 17.710000000000001 110.855 179.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 77' ' ' LEU . . . . . 0.4 ' HB3' ' HA ' ' C' ' 74' ' ' LEU . 0.9 OUTLIER -66.77 -57.64 6.67 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.344 -0.389 . . . . 21.190000000000001 110.551 179.916 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' C' C ' 78' ' ' TYR . . . . . 0.484 ' CE2' ' HB3' ' C' ' 74' ' ' LEU . 22.2 m-85 -61.63 -25.54 67.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 27.41 110.68 179.83 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 11.7 mmtt -71.19 -29.85 65.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 27.120000000000001 110.617 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.25 -36.26 71.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 29.329999999999998 111.031 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 34.100000000000001 110.789 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.863 0.363 . . . . 33.530000000000001 110.803 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.08 -39.94 72.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.485 . . . . 30.43 111.089 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -68.9 -42.55 76.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.102 -0.499 . . . . 33.850000000000001 110.824 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 57' ' ' ARG . . . . . . . . . . . . . 11.0 mtm180 -62.91 -34.19 76.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.071 -0.513 . . . . 27.32 110.746 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 58' ' ' LEU . . . . . 0.423 ' CD2' HG22 ' B' ' 73' ' ' THR . 91.6 mt -70.93 -51.9 23.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.495 . . . . 22.449999999999999 110.749 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 59' ' ' ALA . . . . . . . . . . . . . . . -50.72 -31.57 16.97 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.836 -0.62 . . . . 22.050000000000001 111.119 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 60' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -81.46 -51.73 7.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.322 -0.399 . . . . 18.690000000000001 110.894 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 61' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -59.14 -41.54 88.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 13.41 110.828 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 62' ' ' GLN . . . . . 0.441 ' HB3' ' CD1' ' C' ' 74' ' ' LEU . 0.0 OUTLIER -73.25 -42.13 62.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.451 . . . . 11.08 111.156 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' D' D ' 63' ' ' SER . . . . . . . . . . . . . 96.0 p -65.62 -55.68 16.3 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.427 -0.352 . . . . 16.66 110.926 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 64' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -50.43 -36.82 34.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.307 -0.406 . . . . 18.41 110.768 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 65' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.16 -44.35 95.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.023 -0.535 . . . . 11.19 110.511 179.673 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 66' ' ' VAL . . . . . . . . . . . . . 56.7 t -56.3 -32.43 35.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 9.4399999999999995 110.769 179.716 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.04 -54.38 42.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.092 -0.504 . . . . 12.949999999999999 110.762 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 68' ' ' LYS . . . . . . . . . . . . . 6.3 tttt -57.84 -34.53 69.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.293 -0.412 . . . . 11.300000000000001 110.589 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 69' ' ' MET . . . . . . . . . . . . . 25.3 ttp -70.55 -49.97 42.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.037 -0.529 . . . . 11.029999999999999 110.772 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 70' ' ' VAL . . . . . . . . . . . . . 96.5 t -74.28 -22.73 18.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 10.66 110.983 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 87.5 t80 -64.5 -41.99 96.11 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.334 -0.394 . . . . 17.949999999999999 110.604 179.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -69.75 -42.97 73.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.025 -0.534 . . . . 23.379999999999999 110.595 179.739 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 73' ' ' THR . . . . . 0.44 ' CG2' ' CD1' ' B' ' 58' ' ' LEU . 89.6 m -54.76 -56.55 18.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 24.16 110.865 179.752 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 74' ' ' LEU . . . . . 0.414 ' CD1' ' HB2' ' C' ' 62' ' ' GLN . 9.9 mt -54.22 -40.85 68.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 27.190000000000001 110.755 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.94 -40.72 58.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 29.09 110.637 179.84 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 76' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.45 -25.98 38.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.022 -0.536 . . . . 28.149999999999999 110.726 179.69 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 77' ' ' LEU . . . . . 0.408 ' CD1' ' CD1' ' A' ' 78' ' ' TYR . 28.0 mt -68.56 -36.03 78.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.084 -0.507 . . . . 28.370000000000001 110.982 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 78' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -81.96 -61.42 1.92 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 34.030000000000001 110.987 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.467 . . . . 43.759999999999998 111.147 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.845 0.355 . . . . 31.350000000000001 110.915 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -78.52 -50.79 10.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.467 . . . . 27.920000000000002 110.579 179.673 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.18 -45.05 94.42 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.901 -0.591 . . . . 29.649999999999999 110.464 179.628 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.418 ' HB3' ' CE2' ' B' ' 78' ' ' TYR . 27.9 mt -55.59 -53.28 58.4 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.731 -0.668 . . . . 32.07 110.721 179.769 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -49.76 -34.64 19.74 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.171 -0.468 . . . . 25.25 110.967 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -76.66 -29.03 56.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.093 -0.503 . . . . 24.609999999999999 110.676 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -74.36 -59.65 2.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.021 -0.536 . . . . 25.399999999999999 110.744 179.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.406 ' HB2' ' CD1' ' B' ' 74' ' ' LEU . 42.3 mm-40 -51.0 -45.62 61.22 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.99 -0.55 . . . . 18.960000000000001 110.786 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 26.0 p -60.71 -43.56 97.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.197 -0.456 . . . . 15.960000000000001 110.808 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.27 -36.59 71.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.434 . . . . 17.010000000000002 110.714 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 23.6 mt -65.13 -36.63 84.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.429 . . . . 19.82 110.431 179.578 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 58.3 t -70.45 -42.65 78.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.006 -0.543 . . . . 11.390000000000001 110.934 179.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.441 ' HG3' ' N ' ' A' ' 68' ' ' LYS . 0.0 OUTLIER -63.99 -28.8 70.06 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.17 -0.468 . . . . 15.710000000000001 110.762 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.441 ' N ' ' HG3' ' A' ' 67' ' ' LYS . 0.0 OUTLIER -73.85 -42.88 60.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 23.77 110.292 179.506 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 46.9 ttp -64.75 -46.16 83.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.001 -0.545 . . . . 10.25 110.121 179.353 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -66.98 -42.93 89.34 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 CA-C-N 116.072 -0.513 . . . . 7.5899999999999999 110.389 179.524 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -47.41 -64.74 0.7 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.892 -0.595 . . . . 20.899999999999999 110.596 179.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 76.8 m-20 -51.14 -42.29 60.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.318 -0.401 . . . . 13.449999999999999 110.506 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 20.4 m -61.05 -66.5 0.52 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 9.9800000000000004 110.016 179.326 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.47 ' CD1' ' CB ' ' B' ' 62' ' ' GLN . 12.0 mt -54.32 -33.27 58.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.037 -0.529 . . . . 17.969999999999999 110.63 179.529 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -57.97 -61.11 2.78 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.923 -0.58 . . . . 21.239999999999998 110.302 179.672 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.88 -31.87 68.68 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.03 -0.532 . . . . 17.670000000000002 110.677 179.586 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.3 tp -65.31 -46.13 81.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.035 -0.53 . . . . 20.510000000000002 110.536 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.416 ' CE2' ' HB3' ' A' ' 74' ' ' LEU . 21.4 m-30 -71.99 -24.65 61.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 27.59 110.629 179.479 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -74.79 -28.31 60.68 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.168 -0.469 . . . . 27.260000000000002 110.594 179.673 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 2.9 tptp -67.98 -35.67 78.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.061 -0.518 . . . . 31.23 110.911 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 9.1 p . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 34.630000000000003 110.847 179.979 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.878 0.371 . . . . 33.82 110.809 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -54.71 -40.28 69.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 32.039999999999999 111.086 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -68.55 -42.94 77.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 32.280000000000001 110.71 179.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 49.9 mtt180 -61.21 -37.33 82.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 23.550000000000001 110.655 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . 0.403 ' O ' ' N ' ' B' ' 61' ' ' GLU . 16.6 mt -64.57 -61.35 2.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.03 -0.532 . . . . 19.460000000000001 110.705 179.789 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -45.4 -29.44 1.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.918 -0.583 . . . . 19.539999999999999 110.995 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -73.6 -39.01 64.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.989 -0.551 . . . . 25.420000000000002 110.395 179.633 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 61' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' B' ' 58' ' ' LEU . 31.5 mm-40 -70.6 -35.8 73.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 17.530000000000001 110.566 179.645 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . 0.47 ' CB ' ' CD1' ' A' ' 74' ' ' LEU . 12.7 mm-40 -69.32 -38.57 78.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.027 -0.533 . . . . 14.83 110.554 179.736 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.74 -62.09 2.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.086 -0.507 . . . . 14.699999999999999 110.68 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -49.7 -35.31 21.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 8.7300000000000004 110.694 179.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.07 -48.59 65.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.995 -0.548 . . . . 8.0299999999999994 110.549 179.74 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 21.9 t -64.13 -32.47 57.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.081 -0.509 . . . . 6.7400000000000002 110.938 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 4.5 tttt -59.53 -59.9 4.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.069 -0.514 . . . . 12.31 110.871 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 1.2 tttp -54.02 -30.48 47.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.353 -0.385 . . . . 19.949999999999999 110.646 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 69' ' ' MET . . . . . 0.434 ' CE ' ' HB3' ' D' ' 62' ' ' GLN . 58.2 ttp -69.05 -52.04 32.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 12.92 110.639 179.799 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 62.9 t -75.73 -23.18 16.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.151 -0.477 . . . . 15.109999999999999 111.018 179.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -62.8 -44.79 95.22 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.181 -0.463 . . . . 25.100000000000001 110.51 179.726 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -67.91 -46.9 70.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.095 -0.502 . . . . 27.5 110.618 179.694 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 73' ' ' THR . . . . . . . . . . . . . 99.1 m -53.65 -47.93 69.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 23.27 110.672 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 74' ' ' LEU . . . . . 0.406 ' CD1' ' HB2' ' A' ' 62' ' ' GLN . 20.9 mt -62.43 -38.0 88.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.095 -0.502 . . . . 21.440000000000001 110.633 179.827 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -50.7 -42.37 56.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 25.66 110.688 179.779 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -78.93 -28.2 43.75 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.978 -0.555 . . . . 30.170000000000002 110.629 179.734 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 38.5 mt -66.53 -46.48 76.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.029 -0.532 . . . . 29.969999999999999 110.819 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 78' ' ' TYR . . . . . 0.418 ' CE2' ' HB3' ' A' ' 58' ' ' LEU . 13.6 m-85 -78.29 -25.58 46.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.111 -0.495 . . . . 31.469999999999999 110.937 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 41.460000000000001 110.858 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.111 0 CA-C-O 120.821 0.343 . . . . 34.100000000000001 110.891 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -78.51 -51.01 10.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 30.5 110.46 179.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.99 -44.96 94.18 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.964 -0.562 . . . . 37.920000000000002 110.458 179.688 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 58' ' ' LEU . . . . . 0.473 ' HB3' ' CE2' ' D' ' 78' ' ' TYR . 27.3 mt -55.69 -53.16 59.97 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.785 -0.643 . . . . 25.559999999999999 110.812 179.768 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -49.91 -34.66 21.05 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.121 -0.49 . . . . 20.030000000000001 111.025 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -76.49 -28.98 56.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.054 -0.521 . . . . 22.280000000000001 110.641 179.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -74.43 -59.77 2.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.085 -0.507 . . . . 23.280000000000001 110.721 179.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 62' ' ' GLN . . . . . 0.425 ' HB2' ' CD1' ' D' ' 74' ' ' LEU . 42.2 mm-40 -50.87 -45.45 59.93 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.95 -0.568 . . . . 25.699999999999999 110.852 179.775 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 63' ' ' SER . . . . . . . . . . . . . 26.1 p -60.81 -43.73 97.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 17.23 110.763 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.19 -36.58 71.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 24.449999999999999 110.653 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 65' ' ' LEU . . . . . . . . . . . . . 23.9 mt -65.27 -36.36 83.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.274 -0.421 . . . . 17.469999999999999 110.48 179.658 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 66' ' ' VAL . . . . . . . . . . . . . 57.5 t -70.7 -42.64 77.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.96 -0.564 . . . . 16.079999999999998 110.931 179.743 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 67' ' ' LYS . . . . . 0.437 ' HG3' ' N ' ' C' ' 68' ' ' LYS . 0.0 OUTLIER -63.81 -29.18 70.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.458 . . . . 15.710000000000001 110.749 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' C' C ' 68' ' ' LYS . . . . . 0.437 ' N ' ' HG3' ' C' ' 67' ' ' LYS . 0.0 OUTLIER -73.6 -42.96 60.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.495 . . . . 13.859999999999999 110.305 179.588 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' C' C ' 69' ' ' MET . . . . . . . . . . . . . 46.9 ttp -64.57 -46.31 83.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.027 -0.533 . . . . 8.5500000000000007 110.138 179.304 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -66.85 -43.13 89.81 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.28 0 CA-C-N 116.024 -0.534 . . . . 10.08 110.401 179.468 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 71' ' ' PHE . . . . . 0.431 ' CE1' ' OD1' ' D' ' 60' ' ' ASP . 60.8 t80 -47.33 -64.75 0.7 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.954 -0.567 . . . . 9.7899999999999991 110.637 179.758 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -51.08 -42.37 60.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.398 -0.365 . . . . 11.33 110.561 179.738 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 73' ' ' THR . . . . . . . . . . . . . 20.5 m -60.89 -66.67 0.5 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.21 -0.45 . . . . 13.25 110.032 179.307 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 74' ' ' LEU . . . . . 0.465 ' CD1' ' CB ' ' D' ' 62' ' ' GLN . 12.2 mt -54.04 -33.42 57.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.983 -0.553 . . . . 15.9 110.647 179.456 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 75' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -57.85 -61.22 2.69 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.908 -0.587 . . . . 14.039999999999999 110.265 179.771 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 76' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.83 -31.82 68.66 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.952 -0.567 . . . . 16.27 110.719 179.573 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 3.3 tp -65.32 -46.28 80.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.038 -0.528 . . . . 21.170000000000002 110.524 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 78' ' ' TYR . . . . . 0.41 ' CE2' ' HB3' ' C' ' 74' ' ' LEU . 21.3 m-30 -71.88 -24.85 61.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 24.890000000000001 110.556 179.597 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -74.6 -28.37 60.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 32.140000000000001 110.587 179.669 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 2.9 tptp -67.99 -35.54 78.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.15 -0.477 . . . . 26.960000000000001 110.924 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 81' ' ' THR . . . . . . . . . . . . . 9.0 p . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 34.340000000000003 110.858 180.0 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 . . . . . 0 N--CA 1.458 -0.074 0 CA-C-O 120.903 0.382 . . . . 34.979999999999997 110.828 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' D' D ' 55' ' ' ALA . . . . . . . . . . . . . . . -54.59 -40.34 68.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.062 -0.517 . . . . 32.460000000000001 111.122 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -68.67 -42.71 77.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 32.789999999999999 110.724 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 57' ' ' ARG . . . . . . . . . . . . . 49.8 mtt180 -61.43 -37.22 82.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 33.560000000000002 110.631 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 58' ' ' LEU . . . . . 0.404 ' O ' ' N ' ' D' ' 61' ' ' GLU . 16.5 mt -64.58 -61.47 2.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.054 -0.521 . . . . 22.949999999999999 110.657 179.781 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 59' ' ' ALA . . . . . . . . . . . . . . . -45.18 -29.46 0.95 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.867 -0.606 . . . . 20.280000000000001 111.072 179.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 60' ' ' ASP . . . . . 0.431 ' OD1' ' CE1' ' C' ' 71' ' ' PHE . 0.3 OUTLIER -73.45 -39.45 64.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.939 -0.573 . . . . 19.170000000000002 110.397 179.547 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' D' D ' 61' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' D' ' 58' ' ' LEU . 32.0 mm-40 -70.4 -35.63 73.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.064 -0.516 . . . . 12.66 110.527 179.651 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 62' ' ' GLN . . . . . 0.465 ' CB ' ' CD1' ' C' ' 74' ' ' LEU . 12.6 mm-40 -69.25 -38.58 78.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 12.869999999999999 110.595 179.735 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 63' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.81 -62.2 1.97 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.027 -0.533 . . . . 17.600000000000001 110.737 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 64' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -49.67 -35.19 20.67 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.166 -0.47 . . . . 18.350000000000001 110.706 179.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.22 -48.52 64.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.035 -0.53 . . . . 11.01 110.567 179.703 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 66' ' ' VAL . . . . . . . . . . . . . 22.0 t -64.11 -32.54 57.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 10.27 111.002 179.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 67' ' ' LYS . . . . . . . . . . . . . 4.5 tttt -59.5 -59.79 4.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 18.960000000000001 110.877 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 68' ' ' LYS . . . . . . . . . . . . . 1.2 tttp -54.05 -30.4 47.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.36 -0.382 . . . . 12.32 110.658 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 69' ' ' MET . . . . . 0.41 ' CE ' ' HB3' ' B' ' 62' ' ' GLN . 58.2 ttp -68.97 -52.2 31.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 11.050000000000001 110.564 179.79 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 70' ' ' VAL . . . . . . . . . . . . . 59.5 t -75.63 -23.24 16.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.085 -0.507 . . . . 11.69 111.058 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -62.74 -44.7 95.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.223 -0.444 . . . . 18.550000000000001 110.545 179.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -68.02 -47.06 69.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.083 -0.508 . . . . 23.899999999999999 110.577 179.719 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 73' ' ' THR . . . . . . . . . . . . . 99.9 m -53.54 -47.86 69.6 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.152 -0.476 . . . . 21.780000000000001 110.775 179.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 74' ' ' LEU . . . . . 0.425 ' CD1' ' HB2' ' C' ' 62' ' ' GLN . 20.7 mt -62.44 -37.99 88.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 26.699999999999999 110.674 179.741 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 75' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -50.79 -42.32 57.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 30.75 110.688 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 76' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -78.77 -28.44 44.77 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.005 -0.543 . . . . 29.539999999999999 110.604 179.645 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 77' ' ' LEU . . . . . . . . . . . . . 38.4 mt -66.38 -46.5 76.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.941 -0.572 . . . . 28.379999999999999 110.817 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 78' ' ' TYR . . . . . 0.473 ' CE2' ' HB3' ' C' ' 58' ' ' LEU . 13.4 m-85 -78.25 -25.7 46.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.114 -0.494 . . . . 34.310000000000002 110.8 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 79' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 41.609999999999999 110.833 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.101 0 CA-C-O 120.919 0.39 . . . . 30.920000000000002 110.672 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -63.45 -56.49 15.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.992 -0.549 . . . . 27.670000000000002 110.427 179.662 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -65.16 -48.06 74.86 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.884 -0.598 . . . . 26.120000000000001 110.298 179.446 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.431 HD12 ' CE2' ' B' ' 78' ' ' TYR . 1.7 tm? -53.59 -49.11 68.47 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.758 -0.656 . . . . 28.289999999999999 110.591 179.466 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -55.52 -34.14 64.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.038 -0.528 . . . . 25.699999999999999 110.994 179.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -60.38 -45.31 93.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 27.649999999999999 110.715 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.45 -53.47 50.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 27.359999999999999 110.83 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 8.8 mp0 -54.01 -45.48 71.51 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.949 -0.568 . . . . 21.100000000000001 110.851 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 49.2 m -59.14 -38.13 78.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 16.789999999999999 110.778 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -60.18 -35.49 75.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 18.73 110.869 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 7.9 mt -67.7 -39.49 84.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 17.390000000000001 110.78 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 26.1 t -73.21 -44.68 55.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.074 -0.512 . . . . 10.449999999999999 111.319 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 71.4 tttt -60.65 -50.5 73.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.349 -0.387 . . . . 20.489999999999998 110.68 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 22.9 mtmt -55.9 -32.66 63.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 22.109999999999999 110.368 179.521 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 61.0 ttp -67.19 -41.95 85.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.945 -0.57 . . . . 7.8799999999999999 110.712 179.712 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 79.4 t -71.53 -44.35 70.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 5.2400000000000002 111.064 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.427 ' O ' ' CB ' ' A' ' 75' ' ' LYS . 19.6 t80 -50.88 -62.08 1.82 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.5 -0.318 . . . . 14.140000000000001 110.65 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -52.53 -42.93 64.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.477 -0.329 . . . . 9.0899999999999999 110.481 179.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 19.5 m -63.29 -71.44 0.17 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.96 0.41 . . . . 13.779999999999999 110.204 179.528 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.491 ' CD1' ' CB ' ' B' ' 62' ' ' GLN . 14.2 mt -50.33 -37.66 37.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.983 -0.553 . . . . 19.989999999999998 110.932 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.427 ' CB ' ' O ' ' A' ' 71' ' ' PHE . 37.0 ttpt -52.43 -67.71 0.23 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.945 -0.571 . . . . 19.949999999999999 110.398 179.62 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.89 -28.91 69.29 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.58 -0.736 . . . . 15.140000000000001 111.035 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.432 ' HB3' ' HA ' ' A' ' 74' ' ' LEU . 2.7 tp -66.8 -65.79 0.64 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.335 -0.393 . . . . 20.34 110.904 -179.813 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.422 ' CD1' ' CD1' ' D' ' 77' ' ' LEU . 18.9 m-30 -50.73 -31.72 17.45 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.445 -0.343 . . . . 25.640000000000001 110.907 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.33 -24.39 66.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.279 -0.419 . . . . 27.120000000000001 110.916 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.98 -47.15 78.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 29.789999999999999 111.064 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 49.0 p . . . . . 0 C--N 1.327 -0.406 0 CA-C-N 116.007 -0.542 . . . . 34.299999999999997 110.892 179.972 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 . . . . . 0 N--CA 1.457 -0.091 0 CA-C-O 120.839 0.352 . . . . 35.140000000000001 110.642 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -54.3 -39.8 67.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.073 -0.512 . . . . 35.219999999999999 111.013 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -63.79 -62.63 1.52 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 30.600000000000001 110.779 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 57' ' ' ARG . . . . . 0.41 ' HG3' ' N ' ' B' ' 58' ' ' LEU . 0.6 OUTLIER -51.0 -39.66 56.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.295 -0.412 . . . . 25.890000000000001 110.674 179.881 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . 0.41 ' N ' ' HG3' ' B' ' 57' ' ' ARG . 3.9 mt -59.98 -59.84 4.77 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.03 -0.532 . . . . 20.059999999999999 110.668 179.783 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -47.33 -35.3 7.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.89 -0.595 . . . . 17.609999999999999 110.979 179.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 62.6 t0 -60.77 -51.16 70.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.061 -0.518 . . . . 21.969999999999999 110.696 179.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -56.68 -35.64 68.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 15.92 110.512 179.643 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . 0.491 ' CB ' ' CD1' ' A' ' 74' ' ' LEU . 3.2 mm-40 -69.81 -53.17 19.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.97 -0.559 . . . . 15.91 110.625 179.667 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -52.08 -57.84 8.36 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.116 -0.493 . . . . 14.59 110.643 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -51.63 -34.02 35.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 11.77 110.57 179.662 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.48 -42.8 82.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.984 -0.553 . . . . 6.25 110.566 179.683 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 3.9 t -65.52 -42.55 93.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.068 -0.515 . . . . 8.1699999999999999 110.949 179.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 2.4 tttt -55.89 -55.92 26.82 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.037 -0.529 . . . . 20.449999999999999 110.784 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.36 -35.11 67.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 19.82 110.596 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 69' ' ' MET . . . . . 0.439 ' CE ' ' HB3' ' D' ' 62' ' ' GLN . 32.4 ttp -70.84 -49.69 43.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.981 -0.554 . . . . 12.68 110.805 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 82.2 t -74.18 -21.17 17.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.106 -0.497 . . . . 15.09 111.17 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 81.8 t80 -69.14 -45.18 70.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.385 -0.37 . . . . 25.739999999999998 110.693 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -65.15 -41.11 95.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.086 -0.507 . . . . 28.030000000000001 110.697 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 73' ' ' THR . . . . . . . . . . . . . 22.9 m -59.27 -46.64 87.98 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.193 -0.458 . . . . 20.41 110.771 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 20.6 mt -59.19 -44.57 92.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 21.620000000000001 110.781 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 26.4 tttt -51.19 -42.79 61.11 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.298 -0.41 . . . . 28.800000000000001 110.549 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -74.83 -32.41 61.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.983 -0.553 . . . . 30.940000000000001 110.417 179.607 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . 0.511 ' CD1' ' CD1' ' C' ' 78' ' ' TYR . 15.3 mt -61.37 -44.98 96.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.954 -0.566 . . . . 30.379999999999999 110.739 179.696 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 78' ' ' TYR . . . . . 0.431 ' CE2' HD12 ' A' ' 58' ' ' LEU . 4.6 m-85 -79.62 -40.85 28.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.118 -0.492 . . . . 34.130000000000003 110.721 179.758 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 7.6 ttmt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 41.009999999999998 110.776 179.891 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.146 0 CA-C-O 120.899 0.381 . . . . 35.600000000000001 110.673 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -63.63 -56.35 16.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.053 -0.521 . . . . 30.449999999999999 110.371 179.616 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 57' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -65.27 -48.22 73.97 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.888 -0.596 . . . . 38.890000000000001 110.219 179.502 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -53.48 -48.98 68.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.761 -0.654 . . . . 30.079999999999998 110.549 179.551 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -55.72 -34.15 64.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.075 -0.511 . . . . 21.68 110.936 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -60.38 -45.23 94.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 18.84 110.749 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.41 -53.52 50.01 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.071 -0.513 . . . . 21.469999999999999 110.914 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 8.9 mp0 -53.9 -45.57 71.15 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.944 -0.571 . . . . 23.460000000000001 110.882 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 63' ' ' SER . . . . . . . . . . . . . 49.4 m -59.01 -38.32 78.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 18.129999999999999 110.765 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -60.04 -35.33 74.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.103 -0.499 . . . . 26.489999999999998 110.947 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 65' ' ' LEU . . . . . . . . . . . . . 7.7 mt -67.88 -39.69 83.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 20.539999999999999 110.701 179.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 66' ' ' VAL . . . . . . . . . . . . . 25.8 t -73.03 -44.83 56.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.136 -0.484 . . . . 16.07 111.188 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 67' ' ' LYS . . . . . . . . . . . . . 71.5 tttt -60.58 -50.29 74.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.31 -0.405 . . . . 9.3000000000000007 110.729 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 68' ' ' LYS . . . . . . . . . . . . . 23.2 mtmt -56.07 -32.8 64.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.334 -0.393 . . . . 15.109999999999999 110.245 179.578 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 69' ' ' MET . . . . . . . . . . . . . 61.2 ttp -67.05 -41.99 85.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.978 -0.555 . . . . 10.109999999999999 110.736 179.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 77.0 t -71.55 -44.31 70.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.086 -0.506 . . . . 9.7599999999999998 110.989 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 71' ' ' PHE . . . . . 0.433 ' O ' ' CB ' ' C' ' 75' ' ' LYS . 19.8 t80 -50.89 -62.2 1.75 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.513 -0.312 . . . . 18.359999999999999 110.616 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 47.9 m-20 -52.39 -42.94 64.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.771 0.32 . . . . 15.0 110.497 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 73' ' ' THR . . . . . . . . . . . . . 20.0 m -63.52 -71.44 0.17 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.225 -0.443 . . . . 9.6999999999999993 110.208 179.531 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 74' ' ' LEU . . . . . 0.484 ' CD1' ' CB ' ' D' ' 62' ' ' GLN . 15.2 mt -50.3 -37.29 35.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.079 -0.51 . . . . 14.25 110.876 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 75' ' ' LYS . . . . . 0.433 ' CB ' ' O ' ' C' ' 71' ' ' PHE . 37.0 ttpt -52.84 -67.81 0.22 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.008 -0.542 . . . . 15.699999999999999 110.423 179.581 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 76' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.84 -28.8 69.25 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.598 -0.728 . . . . 18.440000000000001 111.11 179.787 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 77' ' ' LEU . . . . . 0.413 ' HB3' ' HA ' ' C' ' 74' ' ' LEU . 2.7 tp -66.79 -65.8 0.64 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.456 -0.338 . . . . 21.32 110.879 -179.827 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 78' ' ' TYR . . . . . 0.511 ' CD1' ' CD1' ' B' ' 77' ' ' LEU . 19.2 m-30 -50.67 -31.93 17.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.9 0.381 . . . . 28.68 110.917 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.11 -24.5 66.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 26.140000000000001 110.886 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.88 -47.23 78.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 31.059999999999999 111.032 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 81' ' ' THR . . . . . . . . . . . . . 49.8 p . . . . . 0 C--N 1.327 -0.379 0 CA-C-N 116.027 -0.533 . . . . 34.740000000000002 110.875 179.996 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 . . . . . 0 N--CA 1.457 -0.09 0 CA-C-O 120.841 0.353 . . . . 33.18 110.65 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' D' D ' 55' ' ' ALA . . . . . . . . . . . . . . . -54.35 -39.75 67.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.499 . . . . 30.199999999999999 111.076 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -63.78 -62.6 1.55 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.127 -0.488 . . . . 32.920000000000002 110.875 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 57' ' ' ARG . . . . . 0.416 ' HG3' ' N ' ' D' ' 58' ' ' LEU . 0.6 OUTLIER -50.99 -39.7 56.25 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.227 -0.442 . . . . 26.530000000000001 110.682 179.831 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' D' D ' 58' ' ' LEU . . . . . 0.416 ' N ' ' HG3' ' D' ' 57' ' ' ARG . 3.7 mt -60.02 -59.32 5.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.936 -0.574 . . . . 22.449999999999999 110.706 179.784 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 59' ' ' ALA . . . . . . . . . . . . . . . -47.71 -35.55 9.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.81 -0.632 . . . . 22.109999999999999 111.064 179.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 60' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -60.64 -50.99 71.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.972 -0.558 . . . . 19.93 110.684 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 61' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -56.82 -35.5 68.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.205 -0.452 . . . . 13.81 110.494 179.635 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 62' ' ' GLN . . . . . 0.484 ' CB ' ' CD1' ' C' ' 74' ' ' LEU . 3.2 mm-40 -69.98 -53.02 19.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.018 -0.537 . . . . 11.06 110.637 179.711 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 63' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -51.97 -58.07 7.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 16.52 110.558 179.79 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 64' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -51.38 -33.94 32.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.114 -0.494 . . . . 15.99 110.673 179.652 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.78 -42.73 81.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.031 -0.532 . . . . 11.890000000000001 110.53 179.718 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 66' ' ' VAL . . . . . . . . . . . . . 4.0 t -65.49 -42.33 92.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 9.6099999999999994 111.048 179.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 67' ' ' LYS . . . . . . . . . . . . . 2.4 tttt -55.98 -55.86 27.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.97 -0.559 . . . . 11.619999999999999 110.874 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.33 -35.31 67.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 11.789999999999999 110.664 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 69' ' ' MET . . . . . 0.432 ' CE ' ' HB3' ' B' ' 62' ' ' GLN . 33.4 ttp -70.64 -49.52 46.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.006 -0.543 . . . . 11.289999999999999 110.885 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 70' ' ' VAL . . . . . . . . . . . . . 81.4 t -74.28 -21.31 17.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.078 -0.51 . . . . 11.51 111.234 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -69.07 -45.1 71.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.307 -0.406 . . . . 17.75 110.675 179.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -65.16 -41.35 94.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 24.27 110.671 179.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 73' ' ' THR . . . . . . . . . . . . . 23.5 m -59.01 -46.65 87.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.455 . . . . 24.800000000000001 110.773 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 74' ' ' LEU . . . . . . . . . . . . . 20.8 mt -59.15 -44.74 92.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.107 -0.497 . . . . 26.850000000000001 110.741 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 75' ' ' LYS . . . . . . . . . . . . . 26.2 tttt -51.05 -42.88 60.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.309 -0.405 . . . . 27.649999999999999 110.511 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 76' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -74.72 -32.56 62.17 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.983 -0.553 . . . . 28.0 110.396 179.617 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 77' ' ' LEU . . . . . 0.422 ' CD1' ' CD1' ' A' ' 78' ' ' TYR . 15.1 mt -61.19 -45.07 96.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.936 -0.575 . . . . 28.899999999999999 110.669 179.756 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 78' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -79.66 -40.78 28.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.046 -0.525 . . . . 33.719999999999999 110.732 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 79' ' ' LYS . . . . . . . . . . . . . 7.6 ttmt . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.114 -0.494 . . . . 45.710000000000001 110.806 179.873 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.427 ' HB1' ' CG ' ' B' ' 78' ' ' TYR . . . . . . . . 0 N--CA 1.456 -0.17 0 CA-C-O 120.861 0.362 . . . . 34.68 110.921 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -62.82 -53.87 47.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.429 . . . . 30.559999999999999 110.373 179.64 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 2.8 tpp180 -67.89 -45.02 75.62 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.884 -0.598 . . . . 36.82 110.252 179.443 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -58.14 -42.97 87.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.828 -0.624 . . . . 26.059999999999999 110.903 179.653 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.79 -35.28 79.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 20.469999999999999 111.281 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -61.77 -39.51 91.91 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.251 -0.431 . . . . 21.789999999999999 110.934 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -65.83 -54.0 32.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 22.149999999999999 110.991 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.432 ' HB2' ' CD1' ' B' ' 74' ' ' LEU . 79.4 mm-40 -51.63 -42.78 62.27 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.022 -0.535 . . . . 24.98 110.964 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 68.5 p -70.22 -33.14 71.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 17.850000000000001 110.876 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -63.28 -51.96 63.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 24.850000000000001 110.73 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 8.6 mt -53.72 -46.43 70.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.086 -0.507 . . . . 18.440000000000001 110.566 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 48.2 t -59.7 -48.3 88.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 16.629999999999999 110.644 179.481 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.437 ' HG3' ' CB ' ' B' ' 63' ' ' SER . 23.6 tttt -56.66 -41.27 76.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.846 -0.616 . . . . 13.369999999999999 110.612 179.74 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.43 -42.99 98.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 13.880000000000001 110.524 179.592 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 53.8 ttp -60.61 -39.5 88.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.025 -0.534 . . . . 8.8000000000000007 110.638 179.656 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 60.5 t -70.71 -45.25 74.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.485 . . . . 10.26 110.714 179.756 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.433 ' O ' ' CB ' ' A' ' 75' ' ' LYS . 46.4 t80 -51.62 -61.0 2.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.496 -0.32 . . . . 12.16 110.468 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 36.3 m-20 -52.45 -40.62 62.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.375 -0.375 . . . . 11.01 110.385 179.672 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.1 m -65.68 -72.38 0.16 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 12.199999999999999 110.22 179.408 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.477 ' CD1' ' CB ' ' B' ' 62' ' ' GLN . 13.1 mt -50.11 -35.32 25.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 15.210000000000001 110.904 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.433 ' CB ' ' O ' ' A' ' 71' ' ' PHE . 13.4 ttpt -53.62 -67.48 0.25 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.117 -0.492 . . . . 13.09 110.198 179.491 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -63.81 -33.21 75.17 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.635 -0.711 . . . . 16.5 110.788 179.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.414 ' HB3' ' HA ' ' A' ' 74' ' ' LEU . 0.6 OUTLIER -63.36 -63.94 1.04 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.465 -0.334 . . . . 20.920000000000002 110.512 179.916 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 16.7 m-30 -53.34 -27.05 21.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.881 0.372 . . . . 25.989999999999998 110.591 179.584 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 9.7 mttt -63.37 -36.11 82.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.101 -0.5 . . . . 26.120000000000001 110.443 179.691 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.16 -27.05 66.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.959 -0.564 . . . . 27.390000000000001 110.779 179.794 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.013 -0.54 . . . . 35.240000000000002 110.824 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.772 0.32 . . . . 34.829999999999998 111.058 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.03 -51.59 69.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.37 -0.377 . . . . 32.759999999999998 110.946 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.97 -47.75 83.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.272 -0.422 . . . . 32.890000000000001 110.387 179.545 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 20.7 tpp180 -59.44 -40.21 86.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.041 -0.527 . . . . 31.420000000000002 110.238 179.387 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . 0.402 HD21 ' CG2' ' D' ' 73' ' ' THR . 3.2 mt -58.22 -61.98 2.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.744 -0.662 . . . . 23.57 110.459 179.439 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -45.68 -29.31 1.22 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.696 -0.683 . . . . 21.23 111.183 179.651 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -61.82 -53.72 52.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.023 -0.535 . . . . 17.52 110.665 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 61' ' ' GLU . . . . . 0.412 ' HG3' ' N ' ' B' ' 62' ' ' GLN . 1.6 pt-20 -60.13 -28.91 68.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 12.67 110.707 179.774 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . 0.477 ' CB ' ' CD1' ' A' ' 74' ' ' LEU . 15.3 mm-40 -72.21 -48.43 43.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.924 0.392 . . . . 11.970000000000001 110.761 179.736 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 63' ' ' SER . . . . . 0.437 ' CB ' ' HG3' ' A' ' 67' ' ' LYS . 0.8 OUTLIER -57.12 -56.19 24.96 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.136 -0.484 . . . . 17.5 110.859 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . 0.422 ' HG3' ' N ' ' B' ' 65' ' ' LEU . 7.9 pt-20 -50.9 -35.57 33.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 17.489999999999998 110.78 179.8 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . 0.422 ' N ' ' HG3' ' B' ' 64' ' ' GLU . 0.1 OUTLIER -66.26 -38.29 87.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.49 . . . . 11.33 110.883 179.832 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 24.3 t -69.18 -37.28 76.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.242 -0.435 . . . . 9.4399999999999995 111.222 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 10.7 tttt -59.44 -58.88 6.65 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.205 -0.452 . . . . 17.289999999999999 111.017 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 45.4 tttt -54.76 -31.02 58.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.336 -0.393 . . . . 10.84 110.752 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 69' ' ' MET . . . . . . . . . . . . . 47.8 ttp -69.08 -51.42 38.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.481 . . . . 11.029999999999999 110.762 179.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 60.2 t -77.23 -20.3 14.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 11.34 111.019 179.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -64.4 -52.73 56.72 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.369 -0.378 . . . . 18.469999999999999 110.749 179.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 42.4 t0 -65.44 -40.24 93.04 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.13 -0.486 . . . . 24.530000000000001 110.706 179.728 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 73' ' ' THR . . . . . 0.431 ' CG2' HD21 ' D' ' 58' ' ' LEU . 16.2 m -53.42 -60.22 3.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 23.359999999999999 110.828 179.686 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 74' ' ' LEU . . . . . 0.432 ' CD1' ' HB2' ' A' ' 62' ' ' GLN . 28.7 mt -50.78 -39.04 51.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.119 -0.491 . . . . 27.640000000000001 110.949 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.28 -47.13 55.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 30.73 110.749 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -73.33 -26.8 61.19 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.993 -0.548 . . . . 29.690000000000001 110.604 179.724 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 20.3 mt -66.83 -42.47 85.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.048 -0.524 . . . . 29.359999999999999 110.762 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 78' ' ' TYR . . . . . 0.427 ' CG ' ' HB1' ' A' ' 55' ' ' ALA . 9.2 m-85 -82.52 -36.13 26.66 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.077 -0.511 . . . . 35.490000000000002 110.94 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 3.8 tttp . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 44.810000000000002 110.849 179.992 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' C' C ' 55' ' ' ALA . . . . . 0.444 ' HB1' ' CD2' ' D' ' 78' ' ' TYR . . . . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.849 0.357 . . . . 31.530000000000001 110.889 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -62.8 -53.94 46.63 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.014 0.435 . . . . 28.109999999999999 110.435 179.64 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 57' ' ' ARG . . . . . . . . . . . . . 2.8 tpp180 -67.66 -45.03 76.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.905 -0.589 . . . . 29.600000000000001 110.318 179.404 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -58.18 -43.16 87.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.716 -0.675 . . . . 30.149999999999999 110.891 179.658 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.46 -35.48 79.46 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.222 -0.444 . . . . 26.489999999999998 111.225 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -61.56 -39.45 91.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.248 -0.433 . . . . 26.809999999999999 110.94 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -66.04 -53.86 33.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 26.809999999999999 110.948 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 79.7 mm-40 -51.73 -42.73 62.5 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.065 -0.516 . . . . 19.780000000000001 110.911 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 63' ' ' SER . . . . . . . . . . . . . 68.0 p -70.37 -33.18 71.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 16.34 110.781 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -63.26 -52.02 63.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.292 -0.413 . . . . 18.199999999999999 110.741 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 65' ' ' LEU . . . . . . . . . . . . . 8.6 mt -53.66 -46.21 70.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 19.77 110.631 179.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 66' ' ' VAL . . . . . . . . . . . . . 48.4 t -59.83 -48.34 88.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.01 0.433 . . . . 11.31 110.692 179.486 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 67' ' ' LYS . . . . . 0.43 ' HG3' ' CB ' ' D' ' 63' ' ' SER . 23.7 tttt -56.92 -41.07 77.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.901 -0.59 . . . . 16.91 110.559 179.798 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.54 -42.76 98.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 24.0 110.485 179.612 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 69' ' ' MET . . . . . . . . . . . . . 53.9 ttp -60.81 -39.65 89.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.094 -0.503 . . . . 9.4800000000000004 110.486 179.694 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 59.7 t -70.61 -45.17 75.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.095 -0.502 . . . . 7.0199999999999996 110.761 179.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 71' ' ' PHE . . . . . 0.432 ' O ' ' CB ' ' C' ' 75' ' ' LYS . 46.4 t80 -51.64 -61.03 2.5 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.484 -0.326 . . . . 19.91 110.494 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -52.51 -40.64 62.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.293 -0.412 . . . . 12.57 110.324 179.677 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 73' ' ' THR . . . . . . . . . . . . . 17.7 m -65.62 -72.49 0.15 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 11.109999999999999 110.172 179.455 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 74' ' ' LEU . . . . . 0.48 ' CD1' ' CB ' ' D' ' 62' ' ' GLN . 13.7 mt -50.13 -35.4 25.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.064 -0.517 . . . . 18.969999999999999 110.889 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 75' ' ' LYS . . . . . 0.432 ' CB ' ' O ' ' C' ' 71' ' ' PHE . 13.4 ttpt -53.48 -67.93 0.22 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.121 -0.491 . . . . 19.899999999999999 110.122 179.406 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 76' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -63.24 -33.11 74.78 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.716 -0.674 . . . . 17.449999999999999 110.958 179.705 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.5 -64.06 1.01 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.345 -0.389 . . . . 20.850000000000001 110.533 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 78' ' ' TYR . . . . . . . . . . . . . 16.8 m-30 -53.32 -27.03 21.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.88 0.371 . . . . 27.09 110.552 179.616 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 9.7 mttt -63.37 -36.26 83.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 28.0 110.442 179.648 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.97 -27.22 67.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.005 -0.543 . . . . 31.91 110.668 179.737 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 35.640000000000001 110.818 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.8 0.333 . . . . 33.780000000000001 111.014 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' D' D ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.91 -51.64 68.84 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.355 -0.384 . . . . 33.079999999999998 110.931 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.16 -47.55 84.05 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.27 -0.423 . . . . 31.48 110.433 179.585 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 57' ' ' ARG . . . . . . . . . . . . . 20.7 tpp180 -59.73 -39.96 86.48 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.131 -0.486 . . . . 23.510000000000002 110.195 179.447 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 58' ' ' LEU . . . . . 0.431 HD21 ' CG2' ' B' ' 73' ' ' THR . 3.2 mt -58.41 -61.71 2.38 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.772 -0.649 . . . . 19.34 110.38 179.484 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 59' ' ' ALA . . . . . . . . . . . . . . . -45.89 -29.38 1.37 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.662 -0.699 . . . . 18.48 111.217 179.722 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 60' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -62.03 -53.35 56.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.92 -0.582 . . . . 23.609999999999999 110.714 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 61' ' ' GLU . . . . . 0.404 ' HG3' ' N ' ' D' ' 62' ' ' GLN . 1.6 pt-20 -60.26 -28.81 68.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.277 -0.42 . . . . 16.649999999999999 110.712 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 62' ' ' GLN . . . . . 0.48 ' CB ' ' CD1' ' C' ' 74' ' ' LEU . 15.4 mm-40 -72.48 -48.36 41.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 15.31 110.817 179.749 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 63' ' ' SER . . . . . 0.43 ' CB ' ' HG3' ' C' ' 67' ' ' LYS . 0.8 OUTLIER -56.96 -56.07 26.42 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.203 -0.453 . . . . 14.470000000000001 110.769 -179.941 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' D' D ' 64' ' ' GLU . . . . . 0.421 ' HG3' ' N ' ' D' ' 65' ' ' LEU . 7.9 pt-20 -50.97 -35.27 32.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 8.4499999999999993 110.786 179.732 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 65' ' ' LEU . . . . . 0.421 ' N ' ' HG3' ' D' ' 64' ' ' GLU . 0.1 OUTLIER -66.7 -38.32 86.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.067 -0.515 . . . . 6.8799999999999999 110.855 179.921 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' D' D ' 66' ' ' VAL . . . . . . . . . . . . . 23.5 t -68.94 -37.55 77.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.249 -0.432 . . . . 7.3700000000000001 111.211 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 67' ' ' LYS . . . . . . . . . . . . . 10.7 tttt -59.23 -59.15 5.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 15.119999999999999 110.899 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 68' ' ' LYS . . . . . . . . . . . . . 45.7 tttt -54.62 -31.03 56.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.376 -0.375 . . . . 18.600000000000001 110.745 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 69' ' ' MET . . . . . . . . . . . . . 48.3 ttp -69.15 -51.28 39.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 12.970000000000001 110.747 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 70' ' ' VAL . . . . . . . . . . . . . 61.5 t -77.57 -19.86 14.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 15.52 111.131 179.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -64.6 -52.78 55.7 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.928 0.394 . . . . 25.989999999999998 110.615 179.671 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -65.3 -40.33 93.65 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.061 -0.518 . . . . 28.43 110.684 179.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 73' ' ' THR . . . . . 0.402 ' CG2' HD21 ' B' ' 58' ' ' LEU . 15.6 m -53.53 -60.32 3.46 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.159 -0.473 . . . . 22.719999999999999 110.717 179.811 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 74' ' ' LEU . . . . . . . . . . . . . 32.2 mt -50.52 -39.12 47.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.081 -0.509 . . . . 21.109999999999999 110.876 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.31 -47.17 55.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 26.219999999999999 110.755 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 76' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -73.34 -26.89 61.22 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.011 -0.541 . . . . 30.129999999999999 110.614 179.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 77' ' ' LEU . . . . . . . . . . . . . 20.6 mt -66.74 -42.41 86.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.073 -0.512 . . . . 30.440000000000001 110.753 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 78' ' ' TYR . . . . . 0.444 ' CD2' ' HB1' ' C' ' 55' ' ' ALA . 9.0 m-85 -82.62 -36.14 26.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.103 -0.498 . . . . 32.659999999999997 110.952 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 79' ' ' LYS . . . . . . . . . . . . . 3.7 tttp . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 42.700000000000003 110.835 179.927 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.778 0.323 . . . . 32.119999999999997 110.894 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -67.49 -56.99 7.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.284 -0.416 . . . . 28.41 110.545 179.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 4.6 mtt-85 -58.68 -45.21 89.94 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.954 -0.566 . . . . 29.440000000000001 110.362 179.623 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 13.1 mt -54.45 -52.84 60.54 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.827 -0.624 . . . . 31.870000000000001 110.465 179.698 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.5 -36.72 45.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.495 . . . . 25.93 110.701 179.722 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -73.2 -30.97 63.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.994 -0.548 . . . . 25.280000000000001 110.546 179.644 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -74.35 -45.41 47.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.052 -0.522 . . . . 26.129999999999999 110.627 179.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 58.3 mm-40 -57.3 -47.81 80.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.01 -0.541 . . . . 19.030000000000001 110.619 179.663 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 12.1 p -58.89 -40.01 83.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.053 -0.522 . . . . 16.100000000000001 110.644 179.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.42 -27.93 64.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.481 . . . . 17.460000000000001 110.568 179.775 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 71.0 mt -77.87 -34.53 51.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.148 -0.478 . . . . 20.309999999999999 110.061 179.437 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 87.1 t -76.57 -43.78 34.76 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 CA-C-N 115.899 -0.591 . . . . 11.720000000000001 110.627 179.366 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 20.2 ptmt -59.41 -42.81 92.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.073 -0.512 . . . . 15.359999999999999 110.541 179.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -63.27 -38.68 92.09 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.122 -0.49 . . . . 22.460000000000001 110.218 179.568 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 57.6 ttp -64.54 -43.2 94.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.961 -0.563 . . . . 9.8399999999999999 110.423 179.667 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.408 ' CG1' HD13 ' A' ' 74' ' ' LEU . 62.1 t -70.17 -41.97 79.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.1 -0.5 . . . . 7.6500000000000004 110.641 179.632 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 14.3 t80 -52.58 -63.98 0.97 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.368 -0.378 . . . . 21.02 110.43 179.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -51.05 -42.68 60.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.336 -0.393 . . . . 12.710000000000001 110.564 179.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.6 m -64.16 -71.06 0.19 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.384 -0.371 . . . . 10.26 110.267 179.603 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.475 ' CD1' ' CB ' ' B' ' 62' ' ' GLN . 19.1 mt -50.82 -33.93 25.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.081 -0.508 . . . . 18.039999999999999 110.882 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.7 ttpt -56.83 -65.53 0.6 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.037 -0.529 . . . . 19.98 110.185 179.441 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.61 -31.24 71.8 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.596 -0.729 . . . . 17.859999999999999 110.964 179.782 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.421 ' HB3' ' HA ' ' A' ' 74' ' ' LEU . 0.8 OUTLIER -61.96 -53.92 48.93 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.363 -0.381 . . . . 20.73 110.752 -179.871 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.474 ' CE2' ' HB3' ' A' ' 74' ' ' LEU . 22.9 m-85 -65.46 -22.21 66.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.375 -0.375 . . . . 27.699999999999999 110.828 179.752 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 3.3 mttt -74.17 -32.74 63.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.278 -0.419 . . . . 27.309999999999999 110.573 179.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.04 -29.65 68.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 31.07 110.957 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 34.159999999999997 111.004 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 1.9 p30 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.889 0.376 . . . . 33.380000000000003 110.962 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.23 -45.94 83.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.301 -0.409 . . . . 31.609999999999999 111.114 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -61.01 -44.01 98.05 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.242 -0.436 . . . . 30.91 110.767 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 2.3 mtt-85 -62.8 -33.08 74.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 22.73 110.793 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . 0.424 ' O ' ' CG ' ' B' ' 62' ' ' GLN . 26.4 mt -71.51 -61.02 1.93 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 18.920000000000002 110.68 179.731 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -47.06 -30.31 2.64 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.873 -0.603 . . . . 18.949999999999999 111.2 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -69.02 -58.58 3.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.066 -0.516 . . . . 24.760000000000002 110.806 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 61' ' ' GLU . . . . . 0.43 ' HA ' ' CG ' ' B' ' 64' ' ' GLU . 2.1 mm-40 -58.26 -29.98 66.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 16.73 110.691 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . 0.475 ' CB ' ' CD1' ' A' ' 74' ' ' LEU . 2.1 mm-40 -71.93 -38.63 69.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.96 -0.564 . . . . 14.91 110.773 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -69.76 -57.26 5.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.118 -0.492 . . . . 14.41 110.793 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . 0.43 ' CG ' ' HA ' ' B' ' 61' ' ' GLU . 0.0 OUTLIER -50.84 -30.27 13.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.332 -0.395 . . . . 8.5999999999999996 110.564 179.717 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.21 -49.91 57.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.949 -0.568 . . . . 7.6399999999999997 110.526 179.638 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 38.2 t -57.54 -31.86 40.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 6.7400000000000002 110.918 179.682 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 67' ' ' LYS . . . . . 0.417 ' O ' ' N ' ' B' ' 71' ' ' PHE . 0.1 OUTLIER -60.87 -53.32 58.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.002 -0.544 . . . . 11.84 111.158 -179.876 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 22.1 tttt -58.96 -34.28 71.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.395 -0.366 . . . . 19.489999999999998 111.086 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 69' ' ' MET . . . . . . . . . . . . . 35.2 ttp -73.36 -45.2 56.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 13.25 111.103 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . 0.408 HG23 HD11 ' C' ' 74' ' ' LEU . 95.0 t -79.72 -21.54 12.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.304 -0.407 . . . . 15.43 111.227 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.417 ' N ' ' O ' ' B' ' 67' ' ' LYS . 60.7 t80 -68.94 -39.7 79.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.369 -0.378 . . . . 25.379999999999999 110.632 179.774 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -70.84 -50.01 40.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 28.399999999999999 110.564 179.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 73' ' ' THR . . . . . . . . . . . . . 98.3 m -52.84 -43.27 65.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.052 -0.522 . . . . 23.43 110.736 179.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 71.6 mt -63.89 -36.62 84.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.084 -0.507 . . . . 21.510000000000002 110.689 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -51.83 -44.41 63.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 25.84 110.685 179.842 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 74.7 m-20 -75.71 -36.39 60.01 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.989 -0.551 . . . . 30.850000000000001 110.647 179.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . 0.432 ' CD1' ' CD1' ' C' ' 78' ' ' TYR . 17.4 mt -57.77 -42.05 83.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.007 -0.542 . . . . 29.98 110.636 179.717 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -82.24 -33.09 29.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.025 -0.534 . . . . 31.82 110.893 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 6.0 ttmt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 43.07 110.811 -179.96 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.84 0.352 . . . . 35.409999999999997 110.935 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -67.5 -56.97 7.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.451 . . . . 31.510000000000002 110.593 179.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 57' ' ' ARG . . . . . . . . . . . . . 4.7 mtt-85 -58.7 -45.16 90.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.903 -0.59 . . . . 36.060000000000002 110.402 179.62 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 13.2 mt -54.32 -53.02 59.53 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.869 -0.605 . . . . 26.57 110.486 179.644 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.34 -36.83 44.73 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.017 -0.538 . . . . 20.859999999999999 110.668 179.675 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -73.15 -31.07 64.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.042 -0.527 . . . . 23.059999999999999 110.562 179.701 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -74.18 -45.56 47.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.047 -0.524 . . . . 23.539999999999999 110.67 179.718 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 58.5 mm-40 -57.22 -47.88 80.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.932 -0.576 . . . . 25.649999999999999 110.516 179.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 63' ' ' SER . . . . . . . . . . . . . 12.1 p -58.69 -40.15 82.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.079 -0.51 . . . . 17.32 110.612 179.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.35 -28.03 64.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.469 . . . . 24.949999999999999 110.597 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 65' ' ' LEU . . . . . . . . . . . . . 72.4 mt -77.75 -34.64 52.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.09 -0.504 . . . . 17.649999999999999 110.083 179.48 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 66' ' ' VAL . . . . . . . . . . . . . 91.0 t -76.55 -43.91 34.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.846 -0.616 . . . . 16.32 110.633 179.438 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 67' ' ' LYS . . . . . . . . . . . . . 20.2 ptmt -59.25 -42.98 92.39 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.975 -0.557 . . . . 15.76 110.527 179.694 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 68' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -63.09 -38.58 91.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 15.17 110.285 179.54 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 69' ' ' MET . . . . . . . . . . . . . 57.7 ttp -64.64 -43.28 94.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.003 -0.544 . . . . 8.2599999999999998 110.446 179.649 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 70' ' ' VAL . . . . . 0.408 ' CG1' HD13 ' C' ' 74' ' ' LEU . 59.7 t -70.19 -42.08 78.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.016 -0.538 . . . . 9.8399999999999999 110.578 179.678 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 71' ' ' PHE . . . . . . . . . . . . . 14.3 t80 -52.28 -64.1 0.92 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.422 -0.354 . . . . 9.9199999999999999 110.388 179.679 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -51.12 -42.31 60.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.325 -0.398 . . . . 11.119999999999999 110.633 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 73' ' ' THR . . . . . . . . . . . . . 18.6 m -64.38 -70.93 0.2 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.327 -0.397 . . . . 13.130000000000001 110.279 179.579 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 74' ' ' LEU . . . . . 0.482 ' HB3' ' CE2' ' C' ' 78' ' ' TYR . 20.0 mt -50.77 -34.27 26.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.085 -0.507 . . . . 16.059999999999999 110.932 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 75' ' ' LYS . . . . . . . . . . . . . 3.7 ttpt -56.64 -65.55 0.59 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.977 -0.556 . . . . 13.960000000000001 110.227 179.499 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 76' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.64 -31.26 71.83 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.675 -0.693 . . . . 16.359999999999999 110.966 179.709 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 77' ' ' LEU . . . . . 0.402 ' HB3' ' HA ' ' C' ' 74' ' ' LEU . 0.7 OUTLIER -61.92 -53.97 48.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.404 -0.362 . . . . 21.18 110.718 -179.884 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' C' C ' 78' ' ' TYR . . . . . 0.482 ' CE2' ' HB3' ' C' ' 74' ' ' LEU . 22.7 m-85 -65.35 -22.37 66.8 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.418 -0.355 . . . . 25.210000000000001 110.865 179.7 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 3.4 mttt -74.16 -32.43 63.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.309 -0.405 . . . . 29.300000000000001 110.648 179.719 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.22 -29.57 68.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 26.870000000000001 110.995 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 81' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.128 -0.487 . . . . 34.729999999999997 110.951 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 1.9 p30 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.737 0.303 . . . . 34.859999999999999 110.958 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' D' D ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.4 -46.03 83.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.292 -0.413 . . . . 32.25 111.02 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -60.89 -43.86 97.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 32.030000000000001 110.815 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 57' ' ' ARG . . . . . . . . . . . . . 2.4 mtt-85 -63.01 -32.77 74.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 33.119999999999997 110.738 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 58' ' ' LEU . . . . . 0.426 ' O ' ' CG ' ' D' ' 62' ' ' GLN . 26.6 mt -71.82 -60.8 2.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 22.879999999999999 110.691 179.801 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 59' ' ' ALA . . . . . . . . . . . . . . . -47.22 -30.03 2.74 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.937 -0.574 . . . . 20.309999999999999 111.18 179.732 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 60' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.29 -58.44 4.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.053 -0.521 . . . . 19.41 110.802 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 61' ' ' GLU . . . . . 0.436 ' HA ' ' CG ' ' D' ' 64' ' ' GLU . 2.1 mm-40 -58.53 -29.73 66.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.286 -0.415 . . . . 12.73 110.755 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 62' ' ' GLN . . . . . 0.452 ' CB ' ' CD1' ' C' ' 74' ' ' LEU . 2.0 mm-40 -72.03 -38.77 69.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.994 -0.548 . . . . 11.859999999999999 110.787 179.815 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 63' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -69.59 -57.27 5.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.075 -0.511 . . . . 17.859999999999999 110.918 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 64' ' ' GLU . . . . . 0.436 ' CG ' ' HA ' ' D' ' 61' ' ' GLU . 0.0 OUTLIER -50.83 -30.38 14.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.99 0.424 . . . . 18.829999999999998 110.608 179.702 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' D' D ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.08 -49.93 58.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.919 -0.582 . . . . 10.85 110.593 179.622 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 66' ' ' VAL . . . . . . . . . . . . . 38.3 t -57.6 -31.85 40.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.069 -0.514 . . . . 10.140000000000001 110.929 179.699 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.82 -53.32 58.73 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.933 -0.576 . . . . 19.050000000000001 111.21 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 68' ' ' LYS . . . . . . . . . . . . . 21.9 tttt -59.06 -34.1 71.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.321 -0.399 . . . . 12.609999999999999 111.093 -179.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 69' ' ' MET . . . . . . . . . . . . . 35.0 ttp -73.48 -45.25 55.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 11.300000000000001 111.133 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 70' ' ' VAL . . . . . . . . . . . . . 99.9 t -79.68 -21.6 12.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 11.66 111.191 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -68.75 -39.73 80.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.957 0.408 . . . . 18.66 110.707 179.686 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -70.77 -50.14 39.12 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.049 -0.523 . . . . 23.91 110.521 179.639 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 73' ' ' THR . . . . . . . . . . . . . 98.3 m -52.61 -43.36 65.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.077 -0.51 . . . . 22.210000000000001 110.659 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 74' ' ' LEU . . . . . . . . . . . . . 71.3 mt -63.93 -36.67 84.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 26.920000000000002 110.821 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 75' ' ' LYS . . . . . . . . . . . . . 1.1 ttpt -51.95 -43.94 63.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 30.859999999999999 110.764 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 76' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -76.18 -36.18 58.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.049 -0.523 . . . . 29.710000000000001 110.51 179.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 77' ' ' LEU . . . . . 0.407 ' CD1' ' CD1' ' A' ' 78' ' ' TYR . 17.2 mt -57.97 -41.87 83.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.961 -0.563 . . . . 28.43 110.66 179.734 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 78' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -82.44 -33.02 28.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.005 -0.543 . . . . 34.409999999999997 110.815 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 79' ' ' LYS . . . . . . . . . . . . . 6.0 ttmt . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 42.140000000000001 110.871 -179.974 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.142 0 CA-C-O 120.869 0.366 . . . . 31.420000000000002 110.718 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -65.55 -51.03 62.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 27.989999999999998 110.496 179.668 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 47.1 mtp180 -62.37 -44.88 95.44 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.953 -0.567 . . . . 26.98 110.384 179.459 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 13.7 mt -56.23 -49.9 72.8 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.729 -0.668 . . . . 28.760000000000002 110.771 179.72 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.41 -37.76 50.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.078 -0.51 . . . . 25.77 110.905 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.45 -34.72 65.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.107 -0.497 . . . . 26.440000000000001 110.775 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -69.78 -47.41 63.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 27.620000000000001 110.742 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 47.1 mm-40 -59.95 -40.98 90.83 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.059 -0.519 . . . . 20.239999999999998 110.685 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 59.0 m -67.29 -31.86 72.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 16.41 110.814 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -60.12 -49.72 76.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 18.02 110.598 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.6 mt -56.17 -44.69 79.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.052 -0.522 . . . . 18.289999999999999 110.724 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.413 ' HA ' ' HG2' ' A' ' 69' ' ' MET . 72.2 t -68.31 -46.45 80.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.197 -0.456 . . . . 11.109999999999999 110.865 179.797 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.26 -25.04 67.49 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.203 -0.453 . . . . 19.52 110.471 179.55 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 13.8 ttpt -79.05 -42.78 25.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.078 -0.51 . . . . 22.379999999999999 110.731 179.64 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.413 ' HG2' ' HA ' ' A' ' 66' ' ' VAL . 8.0 ptt? -66.72 -27.16 67.4 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.279 -0.419 . . . . 9.3300000000000001 110.718 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 62.5 t -78.15 -44.03 27.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.233 -0.44 . . . . 5.4000000000000004 110.539 179.64 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.415 ' O ' ' CB ' ' A' ' 75' ' ' LYS . 35.8 t80 -49.94 -58.33 5.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.327 -0.397 . . . . 16.719999999999999 110.533 179.776 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -54.92 -45.55 74.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 9.7100000000000009 110.349 179.46 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 19.0 m -60.99 -68.97 0.26 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.965 -0.561 . . . . 12.65 110.373 179.677 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.445 ' CD1' ' HB3' ' B' ' 62' ' ' GLN . 14.2 mt -52.34 -38.81 59.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 19.460000000000001 111.016 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.415 ' CB ' ' O ' ' A' ' 71' ' ' PHE . 14.0 tttt -54.63 -68.59 0.17 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.127 0.489 . . . . 23.309999999999999 110.176 179.474 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -62.46 -29.44 70.53 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.66 -0.7 . . . . 15.800000000000001 110.938 179.695 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.416 ' HB3' ' HA ' ' A' ' 74' ' ' LEU . 0.7 OUTLIER -65.15 -60.97 2.44 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.29 -0.414 . . . . 19.809999999999999 110.665 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.48 ' CD1' HD13 ' D' ' 77' ' ' LEU . 20.8 m-85 -56.54 -26.42 54.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.352 -0.385 . . . . 25.829999999999998 110.486 179.716 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.89 -28.22 68.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.49 . . . . 27.07 110.719 179.799 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.64 -42.43 98.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 30.050000000000001 110.835 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 71.4 p . . . . . 0 C--N 1.326 -0.443 0 CA-C-N 116.102 -0.499 . . . . 34.009999999999998 110.796 179.907 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.816 0.341 . . . . 34.060000000000002 111.011 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -52.05 -41.42 62.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.257 -0.428 . . . . 34.049999999999997 110.878 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -70.16 -50.54 39.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.128 -0.487 . . . . 30.329999999999998 110.765 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 6.2 mtt180 -58.96 -38.73 79.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 27.940000000000001 110.644 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . 0.426 HD22 ' NE2' ' B' ' 62' ' ' GLN . 60.0 mt -63.7 -60.48 3.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.064 -0.516 . . . . 19.309999999999999 110.67 179.723 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 59' ' ' ALA . . . . . 0.424 ' O ' ' CB ' ' B' ' 63' ' ' SER . . . -47.95 -28.18 2.58 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.847 -0.615 . . . . 18.420000000000002 111.135 179.815 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 62.3 t0 -73.67 -62.29 1.54 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 22.149999999999999 110.874 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -57.4 -41.44 80.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.435 -0.348 . . . . 16.16 110.55 179.709 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . 0.445 ' HB3' ' CD1' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -67.47 -39.85 85.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 15.85 110.974 179.695 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 63' ' ' SER . . . . . 0.424 ' CB ' ' O ' ' B' ' 59' ' ' ALA . 78.9 p -70.78 -56.71 5.75 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.393 -0.367 . . . . 14.300000000000001 110.7 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 23.1 pt-20 -50.91 -35.59 33.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.434 . . . . 10.369999999999999 110.735 179.758 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 3.8 tt -61.68 -43.46 98.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.195 -0.457 . . . . 6.8499999999999996 110.648 179.747 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 11.1 t -57.61 -42.48 81.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 8.4499999999999993 110.985 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 8.2 tttp -54.7 -57.8 10.04 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.077 -0.511 . . . . 18.809999999999999 110.866 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 1.5 mptt -52.79 -38.13 60.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 20.140000000000001 110.762 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 69' ' ' MET . . . . . . . . . . . . . 16.7 ttp -67.04 -49.9 63.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 13.1 110.952 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 75.2 t -72.69 -24.83 21.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.01 -0.541 . . . . 15.51 111.37 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -59.9 -49.44 77.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.867 0.365 . . . . 26.510000000000002 110.644 179.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -64.33 -45.29 88.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 28.710000000000001 110.58 179.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 73' ' ' THR . . . . . 0.41 HG22 ' CE1' ' C' ' 78' ' ' TYR . 51.6 m -52.18 -50.48 61.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.097 -0.501 . . . . 21.239999999999998 110.795 179.756 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 36.0 mt -62.06 -41.22 97.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.114 -0.494 . . . . 21.309999999999999 110.834 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -50.19 -39.02 42.73 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.288 -0.414 . . . . 27.940000000000001 110.624 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -80.93 -34.99 32.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.953 -0.567 . . . . 30.710000000000001 110.563 179.651 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . 0.479 HD13 ' CD1' ' C' ' 78' ' ' TYR . 19.0 mt -58.77 -42.54 89.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.029 -0.532 . . . . 30.43 110.847 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -79.06 -46.93 17.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.497 . . . . 33.340000000000003 110.846 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 12.3 ttpt . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 115.992 -0.549 . . . . 41.420000000000002 111.093 -179.95 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.122 0 CA-C-O 120.795 0.331 . . . . 35.810000000000002 110.808 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -65.61 -51.22 61.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.127 -0.488 . . . . 31.739999999999998 110.462 179.58 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 57' ' ' ARG . . . . . . . . . . . . . 46.8 mtp180 -62.23 -44.92 95.46 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.881 -0.6 . . . . 39.859999999999999 110.396 179.484 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 13.8 mt -56.19 -50.09 72.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.748 -0.66 . . . . 30.140000000000001 110.705 179.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.16 -37.74 48.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.089 -0.505 . . . . 20.91 110.94 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.49 -34.68 65.42 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.138 -0.483 . . . . 19.210000000000001 110.795 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -69.9 -47.3 63.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.476 . . . . 21.41 110.811 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 46.4 mm-40 -60.0 -41.02 91.2 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.018 -0.537 . . . . 24.539999999999999 110.734 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 63' ' ' SER . . . . . . . . . . . . . 59.9 m -67.13 -32.1 73.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 17.969999999999999 110.902 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -60.03 -49.64 76.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.216 -0.447 . . . . 26.84 110.624 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 65' ' ' LEU . . . . . . . . . . . . . 3.6 mt -56.05 -44.86 79.25 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.053 -0.522 . . . . 20.010000000000002 110.754 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 66' ' ' VAL . . . . . 0.404 ' O ' ' HG2' ' C' ' 69' ' ' MET . 67.6 t -68.24 -46.49 80.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.211 -0.449 . . . . 16.800000000000001 110.85 179.779 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 67' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.03 -25.19 67.73 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.239 -0.437 . . . . 10.1 110.476 179.5 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 68' ' ' LYS . . . . . . . . . . . . . 13.8 ttpt -79.14 -42.58 25.87 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.074 -0.512 . . . . 14.58 110.775 179.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 69' ' ' MET . . . . . 0.404 ' HG2' ' O ' ' C' ' 66' ' ' VAL . 7.9 ptt? -66.85 -27.0 67.18 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.318 -0.401 . . . . 10.1 110.748 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 62.7 t -78.25 -43.81 27.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.179 -0.464 . . . . 9.7300000000000004 110.604 179.604 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 71' ' ' PHE . . . . . 0.42 ' O ' ' CB ' ' C' ' 75' ' ' LYS . 35.7 t80 -50.08 -58.51 5.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.289 -0.414 . . . . 16.059999999999999 110.487 179.705 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -54.85 -45.61 74.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 12.550000000000001 110.272 179.541 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 73' ' ' THR . . . . . . . . . . . . . 19.2 m -61.03 -68.96 0.26 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.028 -0.533 . . . . 10.630000000000001 110.456 179.649 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 74' ' ' LEU . . . . . 0.435 ' CD1' ' HB3' ' D' ' 62' ' ' GLN . 14.3 mt -52.3 -38.9 59.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 14.56 111.076 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 75' ' ' LYS . . . . . 0.42 ' CB ' ' O ' ' C' ' 71' ' ' PHE . 14.0 tttt -54.48 -68.61 0.17 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.2 -0.455 . . . . 14.65 110.201 179.412 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 76' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -62.56 -29.41 70.56 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.618 -0.719 . . . . 17.870000000000001 110.906 179.735 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 77' ' ' LEU . . . . . 0.413 ' HB3' ' HA ' ' C' ' 74' ' ' LEU . 0.7 OUTLIER -65.01 -61.04 2.39 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.426 -0.352 . . . . 21.27 110.612 179.921 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' C' C ' 78' ' ' TYR . . . . . 0.479 ' CD1' HD13 ' B' ' 77' ' ' LEU . 20.9 m-85 -56.49 -26.47 54.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.954 0.406 . . . . 27.620000000000001 110.578 179.678 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.85 -28.5 68.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.075 -0.511 . . . . 25.829999999999998 110.692 179.742 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.25 -42.51 98.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.172 -0.467 . . . . 30.800000000000001 110.915 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 81' ' ' THR . . . . . . . . . . . . . 71.4 p . . . . . 0 C--N 1.327 -0.404 0 CA-C-N 116.126 -0.488 . . . . 34.890000000000001 110.833 180.0 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.826 0.346 . . . . 33.100000000000001 111.058 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' D' D ' 55' ' ' ALA . . . . . . . . . . . . . . . -51.98 -41.44 62.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 30.16 110.894 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -70.0 -50.75 38.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.056 -0.52 . . . . 33.109999999999999 110.755 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 57' ' ' ARG . . . . . . . . . . . . . 6.1 mtt180 -58.76 -38.77 79.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 27.859999999999999 110.697 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 58' ' ' LEU . . . . . 0.415 HD22 ' NE2' ' D' ' 62' ' ' GLN . 60.7 mt -63.75 -60.25 3.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.069 -0.514 . . . . 22.23 110.719 179.737 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 59' ' ' ALA . . . . . 0.421 ' O ' ' CB ' ' D' ' 63' ' ' SER . . . -48.14 -28.1 2.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.742 -0.663 . . . . 21.73 111.174 179.83 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 60' ' ' ASP . . . . . . . . . . . . . 62.5 t0 -73.84 -62.02 1.64 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.103 -0.499 . . . . 18.390000000000001 110.817 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 61' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -57.56 -41.37 80.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.44 -0.346 . . . . 12.99 110.536 179.742 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 62' ' ' GLN . . . . . 0.435 ' HB3' ' CD1' ' C' ' 74' ' ' LEU . 0.0 OUTLIER -67.44 -39.74 85.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 10.75 110.966 179.785 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' D' D ' 63' ' ' SER . . . . . 0.421 ' CB ' ' O ' ' D' ' 59' ' ' ALA . 78.8 p -70.86 -56.81 5.47 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.327 -0.397 . . . . 16.600000000000001 110.755 179.816 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 64' ' ' GLU . . . . . . . . . . . . . 23.0 pt-20 -50.95 -35.49 33.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 17.09 110.738 179.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 65' ' ' LEU . . . . . . . . . . . . . 3.7 tt -61.76 -43.5 98.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.13 -0.486 . . . . 11.4 110.682 179.669 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 66' ' ' VAL . . . . . . . . . . . . . 11.0 t -57.71 -42.3 81.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.249 -0.432 . . . . 8.6799999999999997 111.034 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 67' ' ' LYS . . . . . . . . . . . . . 8.2 tttp -54.71 -57.89 9.72 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.062 -0.517 . . . . 13.92 110.78 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 68' ' ' LYS . . . . . . . . . . . . . 1.5 mptt -52.61 -38.14 59.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 9.9900000000000002 110.784 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 69' ' ' MET . . . . . . . . . . . . . 16.7 ttp -67.03 -49.98 63.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 11.26 110.868 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 70' ' ' VAL . . . . . . . . . . . . . 77.4 t -72.65 -24.91 21.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.02 -0.537 . . . . 10.789999999999999 111.355 -179.606 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -59.81 -49.45 77.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.782 0.325 . . . . 17.82 110.698 179.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -64.29 -45.64 87.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 24.57 110.559 179.72 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 73' ' ' THR . . . . . . . . . . . . . 52.5 m -51.77 -50.66 60.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 24.079999999999998 110.791 179.73 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 74' ' ' LEU . . . . . . . . . . . . . 35.9 mt -61.89 -41.43 97.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 27.09 110.859 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 75' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -49.91 -39.07 38.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.937 0.399 . . . . 29.16 110.65 179.835 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 76' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -81.08 -34.71 32.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.94 -0.573 . . . . 28.030000000000001 110.615 179.712 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 77' ' ' LEU . . . . . 0.48 HD13 ' CD1' ' A' ' 78' ' ' TYR . 19.0 mt -59.0 -42.6 90.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.036 -0.529 . . . . 28.289999999999999 110.705 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 78' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -78.97 -47.13 16.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 33.649999999999999 110.81 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 79' ' ' LYS . . . . . . . . . . . . . 12.4 ttpt . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.076 -0.511 . . . . 44.869999999999997 111.1 -179.907 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.146 0 CA-C-O 120.877 0.37 . . . . 31.32 110.637 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.6 -49.24 69.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 27.920000000000002 110.31 179.523 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 1.4 tmm_? -62.67 -45.13 94.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.95 -0.568 . . . . 28.329999999999998 110.088 179.339 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 14.9 mt -57.15 -47.23 81.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.686 -0.688 . . . . 27.199999999999999 110.574 179.494 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -52.84 -33.79 51.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.047 -0.524 . . . . 24.719999999999999 110.811 179.839 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -79.48 -27.04 41.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 27.170000000000002 110.696 179.868 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -70.72 -52.86 18.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.434 . . . . 28.309999999999999 110.72 179.874 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.425 ' CA ' ' OE1' ' A' ' 62' ' ' GLN . 0.4 OUTLIER -61.69 -39.58 91.97 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.962 -0.563 . . . . 21.010000000000002 110.363 179.681 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 66.5 m -62.71 -32.79 73.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.0 -0.545 . . . . 16.550000000000001 110.603 179.769 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -64.08 -43.07 96.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.102 -0.499 . . . . 18.620000000000001 110.61 179.71 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.6 mt -59.9 -33.1 71.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 17.120000000000001 110.505 179.68 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 49.0 t -74.4 -46.8 42.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.981 -0.554 . . . . 10.449999999999999 110.944 179.805 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 10.5 tttm -61.39 -45.1 95.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 21.140000000000001 110.628 179.803 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.1 mtmm -62.57 -33.87 75.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.145 -0.48 . . . . 21.98 110.605 179.842 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 36.4 ttp -71.22 -38.6 71.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.109 -0.496 . . . . 7.8700000000000001 110.67 179.853 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 55.4 t -71.89 -41.5 69.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.487 . . . . 5.6699999999999999 110.851 179.779 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.433 ' O ' ' CB ' ' A' ' 75' ' ' LYS . 33.2 t80 -53.55 -60.69 2.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.47 -0.332 . . . . 12.94 110.536 179.895 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.49 -42.79 61.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.43 -0.35 . . . . 8.6099999999999994 110.577 179.812 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 17.8 m -65.64 -71.94 0.17 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.222 -0.445 . . . . 13.75 110.322 179.651 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.477 ' CD1' ' CB ' ' B' ' 62' ' ' GLN . 15.1 mt -49.94 -35.09 22.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.089 -0.505 . . . . 19.870000000000001 111.12 -179.969 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.433 ' CB ' ' O ' ' A' ' 71' ' ' PHE . 12.2 tttt -54.17 -71.36 0.08 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.146 0.498 . . . . 20.539999999999999 110.198 179.241 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.44 -30.11 69.44 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.677 -0.692 . . . . 14.609999999999999 110.763 179.636 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.433 ' HB3' ' HA ' ' A' ' 74' ' ' LEU . 0.6 OUTLIER -65.29 -66.47 0.54 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.361 -0.381 . . . . 20.140000000000001 110.695 179.96 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.475 ' CE2' ' HB3' ' A' ' 74' ' ' LEU . 19.1 m-85 -54.09 -23.36 13.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.324 -0.398 . . . . 25.109999999999999 110.887 179.85 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 4.7 mmtp -74.86 -29.14 60.94 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.348 -0.387 . . . . 27.949999999999999 110.533 179.823 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.05 -33.82 70.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.025 -0.534 . . . . 28.710000000000001 110.963 179.924 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 33.560000000000002 110.778 -179.96 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.806 0.336 . . . . 34.990000000000002 110.802 . . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.31 -56.24 22.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.293 -0.412 . . . . 35.119999999999997 110.712 179.754 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.49 -38.94 91.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.039 -0.528 . . . . 32.25 110.393 179.5 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 10.5 ttm180 -65.89 -33.61 76.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.091 -0.504 . . . . 28.489999999999998 110.088 179.344 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . 0.402 ' O ' ' HG2' ' B' ' 62' ' ' GLN . 11.5 mt -66.08 -58.69 4.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.819 -0.628 . . . . 20.780000000000001 110.737 179.829 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -46.35 -37.66 7.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.905 -0.589 . . . . 17.620000000000001 110.936 179.825 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.52 -48.32 81.22 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.896 -0.593 . . . . 23.309999999999999 110.36 179.579 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -66.42 -32.4 73.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.974 -0.557 . . . . 15.91 110.375 179.635 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . 0.477 ' CB ' ' CD1' ' A' ' 74' ' ' LEU . 15.0 mm-40 -71.29 -44.78 64.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.069 -0.514 . . . . 16.300000000000001 110.481 179.461 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 1.3 m -61.7 -55.83 26.14 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.121 -0.49 . . . . 15.19 110.673 179.858 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 20.4 pt-20 -51.08 -33.25 25.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.051 -0.522 . . . . 12.630000000000001 110.675 179.741 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.05 -42.55 94.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 7.8300000000000001 110.569 179.694 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 3.6 t -64.16 -37.86 80.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.228 -0.442 . . . . 8.6199999999999992 111.038 179.849 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 25.3 ttmt -54.96 -61.99 1.95 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.103 -0.499 . . . . 21.190000000000001 110.883 179.961 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 1.4 tttm -50.83 -36.57 38.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.134 -0.485 . . . . 15.369999999999999 110.743 179.852 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 69' ' ' MET . . . . . . . . . . . . . 30.2 ttp -67.65 -49.56 62.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.991 -0.55 . . . . 12.83 110.963 -179.92 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 66.5 t -74.84 -23.67 17.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 15.49 111.211 -179.876 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 18.1 t80 -65.5 -35.47 80.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.307 -0.406 . . . . 25.800000000000001 110.663 179.814 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -74.83 -45.09 45.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.054 -0.521 . . . . 27.98 110.719 179.831 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 73' ' ' THR . . . . . . . . . . . . . 58.2 m -57.86 -53.76 54.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 20.609999999999999 110.9 179.856 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 56.5 mt -55.82 -41.03 73.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.267 -0.424 . . . . 22.390000000000001 110.839 179.951 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.13 -47.48 45.43 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.03 0.443 . . . . 29.41 110.742 179.783 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -71.83 -33.45 68.49 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.854 -0.612 . . . . 31.510000000000002 110.666 179.679 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 16.2 mt -62.37 -49.41 75.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.063 -0.517 . . . . 30.800000000000001 110.893 179.842 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -76.17 -29.69 57.81 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.153 -0.476 . . . . 33.75 110.826 179.98 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 17.6 tppt? . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 40.32 110.937 -179.985 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.166 0 CA-C-O 120.9 0.381 . . . . 35.590000000000003 110.657 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.61 -49.38 68.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.09 -0.505 . . . . 31.100000000000001 110.264 179.587 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' C' C ' 57' ' ' ARG . . . . . . . . . . . . . 1.4 tmm_? -62.5 -44.96 95.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.85 -0.614 . . . . 39.5 110.144 179.342 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 15.0 mt -57.33 -47.28 81.96 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.653 -0.703 . . . . 30.960000000000001 110.604 179.533 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -52.84 -33.82 51.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.973 -0.558 . . . . 21.780000000000001 110.864 179.869 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -79.25 -27.23 42.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.093 -0.503 . . . . 19.77 110.716 179.822 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -70.64 -52.96 17.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 20.899999999999999 110.705 179.913 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 62' ' ' GLN . . . . . 0.428 ' CA ' ' OE1' ' C' ' 62' ' ' GLN . 0.4 OUTLIER -61.75 -39.3 91.11 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.997 -0.547 . . . . 22.870000000000001 110.425 179.721 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' C' C ' 63' ' ' SER . . . . . . . . . . . . . 67.2 m -62.83 -32.88 74.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.982 -0.553 . . . . 18.420000000000002 110.569 179.654 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -63.94 -43.16 96.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 26.07 110.625 179.75 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 65' ' ' LEU . . . . . . . . . . . . . 3.6 mt -59.87 -33.1 71.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 20.670000000000002 110.508 179.608 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 66' ' ' VAL . . . . . . . . . . . . . 49.1 t -74.32 -46.59 43.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.037 -0.528 . . . . 15.210000000000001 111.032 179.729 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 67' ' ' LYS . . . . . . . . . . . . . 10.6 tttm -61.69 -44.92 96.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 8.8200000000000003 110.699 179.793 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 68' ' ' LYS . . . . . . . . . . . . . 1.1 mtmm -62.67 -33.77 75.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 16.059999999999999 110.626 179.833 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 69' ' ' MET . . . . . . . . . . . . . 37.1 ttp -71.32 -38.65 71.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.021 -0.536 . . . . 10.5 110.677 179.845 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 52.9 t -71.83 -41.35 69.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.072 -0.513 . . . . 10.369999999999999 110.699 179.841 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 71' ' ' PHE . . . . . 0.437 ' O ' ' CB ' ' C' ' 75' ' ' LYS . 33.2 t80 -53.71 -60.79 2.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.49 -0.323 . . . . 19.399999999999999 110.537 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.41 -42.84 61.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.423 -0.353 . . . . 14.609999999999999 110.62 179.863 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' C' C ' 73' ' ' THR . . . . . . . . . . . . . 18.1 m -65.63 -71.81 0.18 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 9.2799999999999994 110.346 179.568 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 74' ' ' LEU . . . . . 0.467 ' HB3' ' CE2' ' C' ' 78' ' ' TYR . 14.3 mt -49.9 -35.26 23.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 14.31 111.025 -179.968 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' C' C ' 75' ' ' LYS . . . . . 0.437 ' CB ' ' O ' ' C' ' 71' ' ' PHE . 12.3 tttt -54.29 -71.44 0.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.223 -0.444 . . . . 16.329999999999998 110.085 179.355 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' C' C ' 76' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.32 -30.11 69.3 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.747 -0.66 . . . . 18.870000000000001 110.779 179.691 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' C' C ' 77' ' ' LEU . . . . . 0.421 ' HB3' ' HA ' ' C' ' 74' ' ' LEU . 0.7 OUTLIER -65.45 -66.44 0.55 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.371 -0.377 . . . . 21.510000000000002 110.64 179.955 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' C' C ' 78' ' ' TYR . . . . . 0.467 ' CE2' ' HB3' ' C' ' 74' ' ' LEU . 19.1 m-85 -54.1 -23.37 13.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.467 -0.333 . . . . 29.030000000000001 110.831 179.905 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 4.7 mmtp -74.7 -29.3 61.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.921 0.391 . . . . 26.34 110.597 179.765 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.1 -33.6 70.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.993 -0.548 . . . . 29.899999999999999 110.958 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' C' C ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 34.560000000000002 110.819 179.993 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.886 0.374 . . . . 32.240000000000002 110.864 . . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.39 -56.36 21.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 29.620000000000001 110.603 179.808 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.31 -39.04 91.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.018 -0.537 . . . . 34.289999999999999 110.316 179.595 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' D' D ' 57' ' ' ARG . . . . . . . . . . . . . 10.4 ttm180 -65.77 -33.74 76.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.098 -0.501 . . . . 26.23 110.148 179.389 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 58' ' ' LEU . . . . . 0.403 ' O ' ' HG2' ' D' ' 62' ' ' GLN . 11.5 mt -65.91 -58.96 4.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.822 -0.626 . . . . 22.129999999999999 110.729 179.805 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' D' D ' 59' ' ' ALA . . . . . . . . . . . . . . . -46.11 -37.76 7.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.877 -0.601 . . . . 22.039999999999999 110.948 179.817 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.55 -47.99 82.38 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.897 -0.592 . . . . 22.66 110.337 179.531 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' D' D ' 61' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -66.81 -31.99 72.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.076 -0.511 . . . . 15.58 110.333 179.546 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 62' ' ' GLN . . . . . 0.461 ' CB ' ' CD1' ' C' ' 74' ' ' LEU . 15.5 mm-40 -71.59 -44.42 64.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.112 -0.495 . . . . 11.34 110.479 179.464 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' D' D ' 63' ' ' SER . . . . . . . . . . . . . 1.3 m -62.19 -55.87 24.34 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.04 -0.527 . . . . 16.379999999999999 110.629 179.884 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 64' ' ' GLU . . . . . . . . . . . . . 20.4 pt-20 -51.14 -33.32 26.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.106 -0.497 . . . . 15.880000000000001 110.649 179.815 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 65' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -64.98 -42.46 94.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 10.84 110.587 179.678 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' D' D ' 66' ' ' VAL . . . . . . . . . . . . . 3.6 t -64.28 -37.91 81.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.208 -0.451 . . . . 9.4100000000000001 111.06 179.884 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 67' ' ' LYS . . . . . . . . . . . . . 25.3 ttmt -54.82 -61.94 1.98 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.037 -0.528 . . . . 9.9100000000000001 110.809 179.962 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 68' ' ' LYS . . . . . . . . . . . . . 1.3 tttm -50.9 -36.1 36.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 11.92 110.829 179.89 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 69' ' ' MET . . . . . . . . . . . . . 29.2 ttp -68.13 -49.34 61.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.005 -0.543 . . . . 11.539999999999999 111.01 -179.922 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 70' ' ' VAL . . . . . . . . . . . . . 61.5 t -74.86 -23.81 17.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.275 -0.42 . . . . 12.52 111.194 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 18.1 t80 -65.45 -35.53 81.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.924 0.393 . . . . 18.170000000000002 110.651 179.879 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -74.74 -45.08 46.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.11 -0.495 . . . . 25.010000000000002 110.751 179.821 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 73' ' ' THR . . . . . . . . . . . . . 57.2 m -58.04 -53.61 56.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.105 -0.498 . . . . 25.050000000000001 110.886 179.95 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 74' ' ' LEU . . . . . . . . . . . . . 54.6 mt -55.97 -40.72 73.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.291 -0.413 . . . . 26.399999999999999 110.792 -179.982 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.45 -47.49 48.22 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.258 -0.428 . . . . 28.420000000000002 110.703 179.822 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' D' D ' 76' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -71.77 -33.43 68.61 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.852 -0.613 . . . . 28.030000000000001 110.647 179.748 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 77' ' ' LEU . . . . . . . . . . . . . 16.2 mt -62.46 -49.58 74.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.027 -0.533 . . . . 29.260000000000002 110.812 179.837 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 78' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -75.9 -29.79 58.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.267 -0.424 . . . . 32.799999999999997 110.912 180.0 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 79' ' ' LYS . . . . . . . . . . . . . 17.6 tppt? . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.127 -0.488 . . . . 45.020000000000003 110.888 179.972 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.179 0 CA-C-O 120.844 0.354 . . . . 35.590000000000003 110.734 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -63.98 -51.67 63.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 30.5 110.51 179.625 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 44.3 mtp180 -61.48 -44.42 97.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.01 -0.541 . . . . 38.689999999999998 110.265 179.558 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 10.7 mt -54.07 -51.41 64.2 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.813 -0.63 . . . . 31.280000000000001 110.451 179.675 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.69 -34.18 37.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 21.390000000000001 110.676 179.669 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.2 -29.55 66.42 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.079 -0.51 . . . . 17.91 110.504 179.659 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.67 -47.05 27.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.1 -0.5 . . . . 21.420000000000002 110.618 179.796 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 49.1 mm-40 -55.33 -49.72 71.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.956 -0.565 . . . . 22.68 110.608 179.735 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.2 m -59.24 -36.91 76.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.116 -0.493 . . . . 17.73 110.571 179.699 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -58.03 -28.88 64.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.043 -0.526 . . . . 25.280000000000001 110.539 179.783 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 10.8 mt -77.26 -32.56 55.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.09 -0.504 . . . . 21.809999999999999 110.239 179.493 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 43.3 t -78.6 -40.86 24.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.902 -0.59 . . . . 16.170000000000002 110.763 179.624 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 10.3 ptmt -61.75 -44.79 96.21 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.109 -0.496 . . . . 8.9399999999999995 110.486 179.846 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.429 ' HG3' ' N ' ' A' ' 69' ' ' MET . 2.7 pttp -62.26 -41.34 98.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.07 -0.514 . . . . 15.710000000000001 110.445 179.662 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.429 ' N ' ' HG3' ' A' ' 68' ' ' LYS . 27.7 ttp -62.81 -39.6 94.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.081 -0.509 . . . . 10.52 110.34 179.494 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 65.2 t -71.54 -42.23 72.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.899 -0.591 . . . . 10.279999999999999 110.553 179.569 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.426 ' O ' ' CB ' ' A' ' 75' ' ' LYS . 50.7 t80 -53.41 -60.1 3.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.314 -0.403 . . . . 19.120000000000001 110.305 179.681 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -51.83 -44.93 63.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.254 -0.43 . . . . 14.09 110.461 179.753 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 19.6 m -64.92 -70.56 0.22 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 9.0700000000000003 110.348 179.638 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.478 ' CD1' ' CB ' ' B' ' 62' ' ' GLN . 12.3 mt -49.31 -35.23 17.56 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.144 -0.48 . . . . 13.970000000000001 111.013 179.921 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.426 ' CB ' ' O ' ' A' ' 71' ' ' PHE . 5.5 tttp -54.53 -70.51 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.099 -0.501 . . . . 16.02 110.292 179.667 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -61.98 -25.17 67.47 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.799 -0.637 . . . . 18.559999999999999 110.95 179.87 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.411 ' HB3' ' HA ' ' A' ' 74' ' ' LEU . 0.8 OUTLIER -72.19 -44.28 63.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.397 -0.365 . . . . 21.43 110.978 -179.752 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.467 ' CE2' ' HB3' ' A' ' 74' ' ' LEU . 14.8 m-85 -72.65 -24.09 61.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.859 0.362 . . . . 28.800000000000001 110.77 179.703 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -74.91 -30.85 61.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 25.989999999999998 110.346 179.512 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 12.1 tttm -71.32 -33.26 69.5 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.943 -0.572 . . . . 29.699999999999999 110.796 179.807 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 35.649999999999999 110.893 179.864 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.664 0.269 . . . . 32.850000000000001 111.179 . . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.48 -46.44 86.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.414 -0.357 . . . . 30.210000000000001 111.176 179.994 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.34 -55.76 14.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 33.299999999999997 110.98 -179.86 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 20.3 mmt180 -49.81 -31.91 12.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 27.199999999999999 111.054 -179.927 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 20.5 mt -69.75 -60.52 2.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 22.420000000000002 111.159 -179.973 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -44.33 -28.9 0.59 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.004 -0.544 . . . . 22.399999999999999 111.353 -179.854 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -73.96 -45.67 48.77 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.101 -0.499 . . . . 22.100000000000001 110.749 179.761 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -61.77 -33.5 74.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.264 -0.426 . . . . 14.369999999999999 110.766 179.833 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . 0.478 ' CB ' ' CD1' ' A' ' 74' ' ' LEU . 3.9 mm-40 -70.79 -50.1 39.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.193 -0.458 . . . . 11.51 110.747 179.833 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 1.3 m -51.54 -58.0 7.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.283 -0.417 . . . . 16.670000000000002 110.534 179.872 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -52.38 -33.48 43.51 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 116.106 -0.497 . . . . 16.140000000000001 110.554 179.709 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.66 -45.59 68.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.992 -0.549 . . . . 11.65 110.622 179.797 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 17.8 t -63.63 -33.88 64.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.154 -0.475 . . . . 9.1799999999999997 111.028 179.821 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.62 -56.04 24.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 10.32 110.815 179.914 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.94 -35.43 61.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.224 -0.443 . . . . 13.029999999999999 110.724 179.799 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 69' ' ' MET . . . . . . . . . . . . . 35.6 ttp -67.1 -50.71 60.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.114 -0.494 . . . . 11.51 110.867 179.979 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 51.4 t -74.27 -24.26 18.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.03 -0.532 . . . . 11.74 111.213 -179.891 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -60.74 -45.78 92.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.266 -0.424 . . . . 17.940000000000001 110.698 179.723 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -69.23 -40.86 77.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 25.190000000000001 110.59 179.813 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 73' ' ' THR . . . . . . . . . . . . . 52.9 m -57.06 -45.92 82.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.453 . . . . 24.890000000000001 110.661 179.782 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 68.7 mt -64.46 -37.73 88.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.487 . . . . 26.699999999999999 110.827 179.83 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 2.2 ttpt -51.69 -41.69 61.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 27.190000000000001 110.52 179.806 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -77.01 -35.12 57.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.998 -0.546 . . . . 27.91 110.491 179.568 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . 0.413 HD12 ' CD1' ' C' ' 78' ' ' TYR . 13.7 mt -58.88 -49.91 75.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.993 -0.549 . . . . 28.969999999999999 110.744 179.664 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -76.23 -42.04 47.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.048 -0.524 . . . . 33.310000000000002 110.9 179.908 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 8.9 tttp . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.494 . . . . 46.68 110.963 -179.964 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.871 0.367 . . . . 31.079999999999998 110.732 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -64.23 -51.53 63.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.092 -0.504 . . . . 27.539999999999999 110.589 179.691 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 57' ' ' ARG . . . . . . . . . . . . . 43.7 mtp180 -61.61 -44.39 97.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.995 -0.548 . . . . 26.969999999999999 110.275 179.517 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 10.7 mt -53.88 -51.48 63.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.766 -0.652 . . . . 27.079999999999998 110.535 179.633 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.68 -34.26 37.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.093 -0.503 . . . . 24.600000000000001 110.683 179.785 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.92 -29.98 67.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.053 -0.521 . . . . 26.82 110.578 179.657 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.27 -47.18 29.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.999 -0.546 . . . . 26.739999999999998 110.586 179.792 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 49.4 mm-40 -55.11 -50.01 70.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.95 -0.568 . . . . 21.23 110.533 179.734 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 63' ' ' SER . . . . . 0.411 ' CB ' ' HG2' ' D' ' 67' ' ' LYS . 1.2 m -59.02 -36.92 75.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.113 -0.494 . . . . 16.190000000000001 110.679 179.666 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -58.05 -28.8 64.85 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.058 -0.519 . . . . 18.960000000000001 110.56 179.746 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 65' ' ' LEU . . . . . . . . . . . . . 11.0 mt -77.31 -32.63 55.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.032 -0.531 . . . . 16.07 110.191 179.559 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 66' ' ' VAL . . . . . . . . . . . . . 43.4 t -78.59 -40.9 24.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.891 -0.595 . . . . 11.52 110.788 179.605 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 67' ' ' LYS . . . . . . . . . . . . . 10.2 ptmt -61.56 -44.77 96.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 21.140000000000001 110.59 179.719 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 68' ' ' LYS . . . . . 0.422 ' HG3' ' N ' ' C' ' 69' ' ' MET . 2.7 pttp -62.38 -41.37 98.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.107 -0.497 . . . . 19.460000000000001 110.45 179.581 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' C' C ' 69' ' ' MET . . . . . 0.422 ' N ' ' HG3' ' C' ' 68' ' ' LYS . 28.2 ttp -62.74 -39.63 94.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.061 -0.518 . . . . 8.2599999999999998 110.248 179.542 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 68.4 t -71.58 -42.35 71.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.962 -0.563 . . . . 5.54 110.528 179.625 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 71' ' ' PHE . . . . . 0.423 ' O ' ' CB ' ' C' ' 75' ' ' LYS . 50.9 t80 -53.23 -60.38 3.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.301 -0.409 . . . . 14.24 110.284 179.682 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -51.57 -44.91 62.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 8.6899999999999995 110.5 179.764 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 73' ' ' THR . . . . . . . . . . . . . 19.5 m -64.98 -70.64 0.22 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.11 -0.496 . . . . 13.76 110.369 179.63 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 74' ' ' LEU . . . . . 0.482 ' CD1' ' CB ' ' D' ' 62' ' ' GLN . 12.1 mt -49.38 -35.04 17.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 19.649999999999999 110.991 179.938 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' C' C ' 75' ' ' LYS . . . . . 0.423 ' CB ' ' O ' ' C' ' 71' ' ' PHE . 5.4 tttp -54.54 -70.56 0.1 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.171 -0.468 . . . . 22.43 110.275 179.586 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' C' C ' 76' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -61.86 -25.52 67.58 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.752 -0.658 . . . . 14.699999999999999 111.004 179.853 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 77' ' ' LEU . . . . . 0.402 ' HB3' ' HA ' ' C' ' 74' ' ' LEU . 0.8 OUTLIER -71.75 -44.33 64.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.366 -0.379 . . . . 20.039999999999999 110.951 -179.787 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' C' C ' 78' ' ' TYR . . . . . 0.468 ' CE2' ' HB3' ' C' ' 74' ' ' LEU . 14.7 m-85 -72.69 -24.26 60.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.422 -0.354 . . . . 25.309999999999999 110.611 179.843 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -74.79 -30.74 61.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.284 -0.416 . . . . 29.18 110.411 179.541 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 11.9 tttm -71.38 -33.27 69.37 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.918 -0.583 . . . . 29.02 110.842 179.746 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.238 0 CA-C-N 116.102 -0.499 . . . . 33.460000000000001 110.92 179.948 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.702 0.287 . . . . 35.210000000000001 111.141 . . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' D' D ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.56 -46.41 86.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.421 -0.354 . . . . 35.82 111.131 -179.942 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.28 -55.76 14.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.431 . . . . 31.989999999999998 110.983 -179.923 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' D' D ' 57' ' ' ARG . . . . . . . . . . . . . 20.3 mmt180 -49.7 -32.33 13.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 31.07 110.989 -179.842 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' D' D ' 58' ' ' LEU . . . . . . . . . . . . . 20.1 mt -69.49 -61.13 1.91 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 20.66 111.083 -179.857 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' D' D ' 59' ' ' ALA . . . . . . . . . . . . . . . -43.58 -29.27 0.46 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.901 -0.591 . . . . 18.309999999999999 111.33 -179.96 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' D' D ' 60' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -73.83 -45.84 48.77 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.039 -0.528 . . . . 23.149999999999999 110.808 179.769 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' D' D ' 61' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -61.51 -33.69 74.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 16.190000000000001 110.795 179.836 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' D' D ' 62' ' ' GLN . . . . . 0.482 ' CB ' ' CD1' ' C' ' 74' ' ' LEU . 3.8 mm-40 -70.65 -50.4 37.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.485 . . . . 16.149999999999999 110.739 179.846 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' D' D ' 63' ' ' SER . . . . . . . . . . . . . 1.2 m -51.09 -57.96 7.32 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.347 -0.388 . . . . 15.17 110.602 179.854 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' D' D ' 64' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -52.4 -33.39 43.35 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 116.043 -0.526 . . . . 12.380000000000001 110.58 179.604 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' D' D ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.58 -45.67 68.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.995 -0.548 . . . . 6.6900000000000004 110.678 179.687 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' D' D ' 66' ' ' VAL . . . . . . . . . . . . . 17.4 t -63.53 -34.01 64.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.056 -0.52 . . . . 8.3100000000000005 111.062 179.828 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' D' D ' 67' ' ' LYS . . . . . 0.411 ' HG2' ' CB ' ' C' ' 63' ' ' SER . 0.0 OUTLIER -61.51 -56.15 23.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 19.670000000000002 110.779 179.903 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' D' D ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.96 -35.38 61.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 19.02 110.802 179.906 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' D' D ' 69' ' ' MET . . . . . 0.42 ' CE ' ' HB3' ' B' ' 62' ' ' GLN . 36.4 ttp -67.22 -50.52 60.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.111 -0.495 . . . . 12.789999999999999 110.884 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' D' D ' 70' ' ' VAL . . . . . 0.402 HG22 HD23 ' A' ' 74' ' ' LEU . 52.1 t -74.27 -24.37 18.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.055 -0.521 . . . . 15.42 111.17 -179.905 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 31.2 t80 -60.79 -45.8 92.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 25.73 110.642 179.811 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -69.11 -40.9 78.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 28.210000000000001 110.561 179.775 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' D' D ' 73' ' ' THR . . . . . . . . . . . . . 51.8 m -56.96 -45.94 82.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 20.48 110.768 179.759 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' D' D ' 74' ' ' LEU . . . . . . . . . . . . . 67.6 mt -64.51 -37.71 88.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 22.27 110.754 179.897 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' D' D ' 75' ' ' LYS . . . . . . . . . . . . . 2.1 ttpt -51.56 -41.92 61.47 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.2 -0.455 . . . . 29.18 110.462 179.781 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' D' D ' 76' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -76.93 -35.02 57.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.967 -0.561 . . . . 31.289999999999999 110.495 179.675 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' D' D ' 77' ' ' LEU . . . . . 0.448 HD12 ' CD1' ' A' ' 78' ' ' TYR . 13.6 mt -59.05 -49.83 76.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.009 -0.542 . . . . 30.670000000000002 110.758 179.667 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' D' D ' 78' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -76.17 -42.05 47.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.103 -0.499 . . . . 33.689999999999998 110.896 179.907 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' D' D ' 79' ' ' LYS . . . . . . . . . . . . . 8.8 tttp . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.084 -0.507 . . . . 40.75 110.94 -179.909 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.16 0 CA-C-O 120.808 0.337 . . . . 31.829999999999998 110.723 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.07 -50.83 52.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.095 -0.502 . . . . 28.300000000000001 110.495 179.585 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 2.4 mmt180 -63.43 -44.42 94.63 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.975 -0.557 . . . . 28.84 110.316 179.528 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 11.6 mt -53.8 -50.72 65.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.872 -0.604 . . . . 31.329999999999998 110.433 179.486 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.52 -38.06 52.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.046 -0.525 . . . . 25.84 110.85 179.771 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.66 -26.39 37.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.021 -0.536 . . . . 24.969999999999999 110.66 179.852 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -73.24 -51.3 18.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 26.600000000000001 110.696 179.874 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.424 ' HB2' ' CD1' ' B' ' 74' ' ' LEU . 55.5 mm-40 -61.39 -36.05 79.2 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.019 -0.537 . . . . 19.370000000000001 110.754 179.8 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 24.8 p -65.04 -36.83 85.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 16.329999999999998 110.64 179.794 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -56.39 -55.53 32.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.431 . . . . 19.84 110.646 179.824 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.9 mt -51.08 -38.0 49.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 19.940000000000001 110.578 179.719 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 64.8 t -69.96 -50.6 47.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.049 -0.523 . . . . 11.16 110.925 179.83 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 24.0 tttm -57.65 -41.43 81.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.121 -0.491 . . . . 17.190000000000001 110.823 179.9 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 15.6 ttpt -60.44 -38.27 83.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 23.579999999999998 110.608 179.753 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 36.1 ttp -64.42 -44.62 90.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 10.359999999999999 110.556 179.632 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 92.9 t -66.89 -43.57 89.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.143 -0.48 . . . . 7.2999999999999998 110.994 179.93 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.421 ' O ' ' CB ' ' A' ' 75' ' ' LYS . 21.1 t80 -53.41 -60.62 3.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.812 0.339 . . . . 20.469999999999999 110.591 179.972 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -53.14 -42.39 66.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.384 -0.371 . . . . 11.529999999999999 110.556 179.82 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 20.7 m -66.96 -69.52 0.3 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.435 . . . . 10.630000000000001 110.277 179.635 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.451 ' CD1' ' HB3' ' B' ' 62' ' ' GLN . 13.5 mt -50.67 -37.11 39.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.048 -0.524 . . . . 18.690000000000001 111.185 179.936 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.421 ' CB ' ' O ' ' A' ' 71' ' ' PHE . 3.9 tttp -52.98 -71.06 0.07 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.105 0.479 . . . . 22.010000000000002 110.05 179.405 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -61.28 -32.28 72.12 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.582 -0.736 . . . . 17.800000000000001 110.934 179.83 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.422 ' HB3' ' HA ' ' A' ' 74' ' ' LEU . 0.7 OUTLIER -61.94 -58.78 6.61 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.435 -0.348 . . . . 20.210000000000001 110.722 -179.937 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.48 ' CE1' HG23 ' D' ' 73' ' ' THR . 21.0 m-85 -62.4 -23.61 66.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.321 -0.4 . . . . 27.16 110.905 179.799 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.67 -33.13 62.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.318 -0.401 . . . . 27.620000000000001 110.609 179.772 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 8.7 tmtt? -69.39 -34.79 75.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.099 -0.501 . . . . 31.149999999999999 110.81 179.868 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.132 -0.486 . . . . 34.060000000000002 110.935 -179.999 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.835 0.35 . . . . 32.729999999999997 110.934 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -51.7 -42.42 62.2 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.157 -0.474 . . . . 32.530000000000001 110.764 179.77 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 9.5 tm-20 -72.41 -35.55 68.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.072 -0.513 . . . . 30.420000000000002 110.674 179.704 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 3.7 mpt_? -65.73 -36.61 84.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 22.370000000000001 110.687 179.791 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . 0.478 ' CD1' ' CG2' ' D' ' 73' ' ' THR . 78.0 mt -67.4 -51.59 50.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.015 -0.539 . . . . 18.59 110.647 179.872 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 59' ' ' ALA . . . . . 0.409 ' O ' ' CB ' ' B' ' 63' ' ' SER . . . -49.98 -37.45 32.45 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.972 -0.558 . . . . 18.68 110.983 179.799 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 33.2 t0 -70.86 -50.69 32.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 22.93 110.926 179.845 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -62.36 -38.29 88.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 16.149999999999999 110.683 179.699 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . 0.451 ' HB3' ' CD1' ' A' ' 74' ' ' LEU . 0.2 OUTLIER -76.44 -41.93 45.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.034 -0.53 . . . . 14.98 110.818 179.812 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' B' B ' 63' ' ' SER . . . . . 0.409 ' CB ' ' O ' ' B' ' 59' ' ' ALA . 79.5 p -66.17 -54.61 23.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.297 -0.41 . . . . 14.390000000000001 110.531 179.791 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -51.24 -38.26 51.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.137 -0.483 . . . . 8.5399999999999991 110.698 179.735 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.77 -42.9 94.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.019 -0.537 . . . . 7.2699999999999996 110.68 179.79 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 59.1 t -58.53 -36.05 57.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 7.1500000000000004 110.908 179.859 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 7.1 ttpt -69.26 -31.78 70.55 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.129 -0.487 . . . . 15.869999999999999 110.643 179.842 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 12.9 tttt -74.56 -38.74 62.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.079 -0.51 . . . . 19.5 110.794 179.948 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 69' ' ' MET . . . . . . . . . . . . . 20.8 ptt? -74.42 -36.01 63.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.327 -0.397 . . . . 12.91 110.739 179.951 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 58.3 t -80.14 -31.79 13.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.082 -0.508 . . . . 16.02 111.174 -179.996 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -58.85 -53.0 63.34 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.324 -0.398 . . . . 25.989999999999998 110.589 179.707 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.36 -44.69 96.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 28.539999999999999 110.68 179.769 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 73' ' ' THR . . . . . 0.469 ' CG2' ' CD1' ' D' ' 58' ' ' LEU . 63.5 m -56.47 -62.14 1.93 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.111 -0.495 . . . . 22.920000000000002 110.82 179.764 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 74' ' ' LEU . . . . . 0.424 ' CD1' ' HB2' ' A' ' 62' ' ' GLN . 49.4 mt -50.57 -39.29 49.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 20.989999999999998 110.96 -179.924 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 2.1 ttpt -49.89 -49.11 50.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.939 0.4 . . . . 25.809999999999999 110.61 179.919 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -70.55 -37.54 74.05 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.921 -0.582 . . . . 30.260000000000002 110.694 179.716 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 9.7 mt -56.2 -50.03 72.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.049 -0.523 . . . . 30.32 110.967 179.845 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 39.3 m-85 -71.16 -43.84 66.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 31.82 110.98 -179.946 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.46 . . . . 42.460000000000001 110.949 -179.936 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.156 0 CA-C-O 120.875 0.369 . . . . 35.700000000000003 110.724 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.36 -50.73 51.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.083 -0.508 . . . . 31.199999999999999 110.43 179.624 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' C' C ' 57' ' ' ARG . . . . . . . . . . . . . 2.4 mmt180 -63.5 -44.34 94.61 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.038 -0.528 . . . . 37.600000000000001 110.245 179.577 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 11.4 mt -53.89 -50.77 65.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.831 -0.622 . . . . 26.579999999999998 110.456 179.551 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.62 -37.91 52.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.966 -0.561 . . . . 20.25 110.809 179.724 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.59 -26.59 37.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.036 -0.529 . . . . 21.48 110.704 179.775 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -73.07 -51.22 18.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.06 -0.518 . . . . 22.789999999999999 110.731 179.885 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 56.0 mm-40 -61.53 -35.96 79.22 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.952 -0.567 . . . . 25.940000000000001 110.738 179.865 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 63' ' ' SER . . . . . . . . . . . . . 24.7 p -65.16 -36.94 85.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 18.260000000000002 110.67 179.856 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -56.21 -55.43 33.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 26.199999999999999 110.653 179.79 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 65' ' ' LEU . . . . . . . . . . . . . 1.9 mt -51.3 -37.97 50.37 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.14 -0.482 . . . . 19.07 110.573 179.75 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 66' ' ' VAL . . . . . . . . . . . . . 64.2 t -69.86 -50.73 46.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.017 -0.538 . . . . 16.670000000000002 110.912 179.768 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 67' ' ' LYS . . . . . . . . . . . . . 24.0 tttm -57.5 -41.44 80.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.047 -0.524 . . . . 13.789999999999999 110.853 179.826 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 68' ' ' LYS . . . . . . . . . . . . . 15.6 ttpt -60.39 -38.31 83.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.438 . . . . 14.27 110.62 179.78 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 69' ' ' MET . . . . . . . . . . . . . 36.1 ttp -64.46 -44.73 90.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.071 -0.513 . . . . 8.7799999999999994 110.561 179.688 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 70' ' ' VAL . . . . . 0.416 ' CG1' ' HG ' ' C' ' 74' ' ' LEU . 94.0 t -66.71 -43.58 90.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 10.970000000000001 111.032 179.821 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' C' C ' 71' ' ' PHE . . . . . 0.429 ' O ' ' CB ' ' C' ' 75' ' ' LYS . 21.1 t80 -53.44 -60.56 3.14 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.956 -0.297 . . . . 11.32 110.608 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -53.21 -42.1 65.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.33 -0.396 . . . . 11.369999999999999 110.564 179.884 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 73' ' ' THR . . . . . . . . . . . . . 20.7 m -67.3 -69.45 0.31 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 12.859999999999999 110.285 179.653 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 74' ' ' LEU . . . . . 0.44 ' HB3' ' CE2' ' C' ' 78' ' ' TYR . 13.3 mt -50.7 -36.96 38.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.059 -0.519 . . . . 15.9 111.127 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' C' C ' 75' ' ' LYS . . . . . 0.429 ' CB ' ' O ' ' C' ' 71' ' ' PHE . 3.9 tttp -53.12 -71.24 0.07 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.084 0.469 . . . . 13.779999999999999 110.011 179.298 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' C' C ' 76' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -61.24 -32.04 71.83 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.643 -0.708 . . . . 16.710000000000001 110.951 179.807 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 77' ' ' LEU . . . . . 0.416 ' HB3' ' HA ' ' C' ' 74' ' ' LEU . 0.8 OUTLIER -62.08 -58.7 6.83 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.501 -0.318 . . . . 21.149999999999999 110.815 179.961 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' C' C ' 78' ' ' TYR . . . . . 0.453 ' CE1' HG23 ' B' ' 73' ' ' THR . 20.9 m-85 -62.47 -23.64 67.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 25.48 110.901 179.822 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.68 -33.04 62.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.358 -0.383 . . . . 28.859999999999999 110.612 179.789 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 8.8 tmtt? -69.47 -34.81 74.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.085 -0.507 . . . . 27.16 110.772 179.877 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 34.0 110.887 -179.97 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.847 0.356 . . . . 34.109999999999999 110.922 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' D' D ' 55' ' ' ALA . . . . . . . . . . . . . . . -51.87 -42.37 62.6 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.156 -0.474 . . . . 31.710000000000001 110.749 179.848 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 9.5 tm-20 -72.49 -35.57 68.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.038 -0.528 . . . . 31.390000000000001 110.668 179.743 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' D' D ' 57' ' ' ARG . . . . . . . . . . . . . 3.7 mpt_? -65.73 -36.34 83.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.074 -0.512 . . . . 30.93 110.73 179.761 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' D' D ' 58' ' ' LEU . . . . . 0.469 ' CD1' ' CG2' ' B' ' 73' ' ' THR . 77.2 mt -67.72 -51.21 52.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.057 -0.52 . . . . 22.84 110.657 179.815 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' D' D ' 59' ' ' ALA . . . . . 0.409 ' O ' ' CB ' ' D' ' 63' ' ' SER . . . -50.34 -37.53 37.33 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.013 -0.539 . . . . 20.32 110.866 179.928 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' D' D ' 60' ' ' ASP . . . . . . . . . . . . . 31.0 t0 -70.88 -50.15 38.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.09 -0.505 . . . . 16.210000000000001 110.876 179.986 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' D' D ' 61' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -62.92 -38.3 90.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.882 0.372 . . . . 11.9 110.614 179.701 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' D' D ' 62' ' ' GLN . . . . . 0.429 ' HB3' ' CD1' ' C' ' 74' ' ' LEU . 0.3 OUTLIER -76.11 -42.11 48.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.028 -0.533 . . . . 11.279999999999999 110.741 179.806 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' D' D ' 63' ' ' SER . . . . . 0.409 ' CB ' ' O ' ' D' ' 59' ' ' ALA . 80.2 p -66.17 -55.0 18.49 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.228 -0.442 . . . . 16.59 110.597 179.775 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' D' D ' 64' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -50.85 -38.3 48.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.099 -0.5 . . . . 16.84 110.733 179.732 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' D' D ' 65' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.79 -42.93 94.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.04 -0.527 . . . . 10.42 110.745 179.782 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' D' D ' 66' ' ' VAL . . . . . 0.401 ' HA ' ' HG2' ' D' ' 69' ' ' MET . 58.5 t -58.57 -35.74 56.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.059 -0.518 . . . . 10.85 111.021 179.791 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' D' D ' 67' ' ' LYS . . . . . . . . . . . . . 7.1 ttpt -69.53 -31.86 70.33 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.085 -0.507 . . . . 17.23 110.65 179.797 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' D' D ' 68' ' ' LYS . . . . . . . . . . . . . 13.0 tttt -74.37 -38.85 63.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.047 -0.524 . . . . 11.48 110.785 179.871 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' D' D ' 69' ' ' MET . . . . . 0.401 ' HG2' ' HA ' ' D' ' 66' ' ' VAL . 20.8 ptt? -74.36 -36.07 63.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.328 -0.397 . . . . 10.890000000000001 110.771 179.962 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' D' D ' 70' ' ' VAL . . . . . . . . . . . . . 59.0 t -80.02 -31.83 13.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.477 . . . . 11.550000000000001 111.111 179.947 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -58.84 -53.3 59.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.341 -0.391 . . . . 18.530000000000001 110.61 179.763 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.86 -45.0 96.25 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.234 -0.439 . . . . 24.0 110.723 179.641 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' D' D ' 73' ' ' THR . . . . . 0.48 HG23 ' CE1' ' A' ' 78' ' ' TYR . 63.1 m -56.16 -62.28 1.82 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.084 -0.507 . . . . 22.710000000000001 110.876 179.724 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' D' D ' 74' ' ' LEU . . . . . . . . . . . . . 49.0 mt -50.55 -39.31 48.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 26.960000000000001 110.989 -179.91 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' D' D ' 75' ' ' LYS . . . . . . . . . . . . . 2.0 ttpt -49.87 -48.9 51.06 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.26 -0.427 . . . . 30.59 110.761 179.899 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' D' D ' 76' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -70.71 -37.44 73.55 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.916 -0.584 . . . . 29.280000000000001 110.718 179.712 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' D' D ' 77' ' ' LEU . . . . . . . . . . . . . 9.8 mt -56.29 -50.17 72.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.072 -0.513 . . . . 28.68 110.934 179.745 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' D' D ' 78' ' ' TYR . . . . . . . . . . . . . 39.0 m-85 -70.91 -43.97 67.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 34.369999999999997 111.0 -179.921 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' D' D ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 43.780000000000001 110.967 -179.908 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.403 ' CB ' ' HB3' ' B' ' 78' ' ' TYR . . . . . . . . 0 N--CA 1.457 -0.111 0 CA-C-O 120.866 0.365 . . . . 32.049999999999997 110.442 . . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -71.13 -54.86 9.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.017 -0.538 . . . . 28.870000000000001 110.212 179.34 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 1.7 mtp85 -60.81 -40.43 92.68 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.791 -0.641 . . . . 29.489999999999998 110.216 179.412 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 14.6 mt -61.7 -52.83 62.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.853 -0.612 . . . . 26.48 110.744 179.661 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -49.13 -30.18 6.32 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.101 -0.5 . . . . 24.039999999999999 111.082 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -81.41 -28.72 34.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.428 . . . . 27.32 110.701 179.821 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -78.15 -47.66 17.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 28.43 110.674 179.846 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 50.8 mm-40 -59.37 -45.46 91.37 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.883 -0.599 . . . . 22.98 110.762 179.915 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 82.1 p -62.31 -35.78 80.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 16.609999999999999 110.763 179.757 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -58.27 -38.69 77.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 20.34 110.785 179.767 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.8 mt -63.73 -45.01 91.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 15.529999999999999 110.724 179.821 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 41.8 t -64.32 -40.6 89.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.071 -0.513 . . . . 12.19 111.012 179.906 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 35.1 tttt -59.67 -51.18 70.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 21.120000000000001 110.715 179.86 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.0 ttmt -55.66 -38.24 69.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 19.510000000000002 110.523 179.751 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 47.4 ttp -63.1 -39.62 95.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.096 -0.502 . . . . 7.3899999999999997 110.585 179.706 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 24.6 t -72.96 -45.65 54.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 6.1100000000000003 110.631 179.799 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.413 ' O ' ' HB2' ' A' ' 75' ' ' LYS . 22.0 t80 -51.49 -72.97 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.941 -0.392 . . . . 10.390000000000001 109.941 179.429 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -44.52 -34.51 2.13 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.257 -0.428 . . . . 8.6999999999999993 110.947 179.482 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.0 m -68.12 -73.53 0.14 Allowed 'General case' 0 N--CA 1.454 -0.246 0 CA-C-O 120.963 0.411 . . . . 14.359999999999999 110.179 179.501 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.441 ' CD1' ' HB2' ' B' ' 62' ' ' GLN . 21.1 mt -51.04 -32.05 20.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.997 -0.547 . . . . 19.510000000000002 111.103 179.863 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.413 ' HB2' ' O ' ' A' ' 71' ' ' PHE . 2.2 ttmt -54.67 -62.07 1.9 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.317 -0.401 . . . . 19.760000000000002 110.517 179.711 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.15 -32.67 72.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.072 -0.513 . . . . 14.42 110.766 179.801 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.72 -65.55 0.67 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.109 -0.496 . . . . 20.550000000000001 110.461 179.889 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.415 ' OH ' ' CG1' ' D' ' 70' ' ' VAL . 21.1 m-30 -54.81 -26.34 34.21 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.871 0.367 . . . . 24.559999999999999 110.686 179.647 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 3.5 mttt -66.81 -40.97 88.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.091 -0.504 . . . . 30.57 110.929 179.978 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 5.0 ttpt -68.19 -33.73 74.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.224 -0.444 . . . . 28.41 110.833 -179.985 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 33.57 110.893 179.92 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 6.4 t70 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.792 0.329 . . . . 35.07 111.001 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.75 -48.19 82.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 35.109999999999999 111.114 -179.874 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -63.28 -44.26 95.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.258 -0.428 . . . . 31.390000000000001 110.802 -179.987 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 65.8 mtt-85 -62.12 -37.06 83.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.425 . . . . 31.739999999999998 110.801 179.944 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 36.2 mt -62.79 -53.72 50.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.005 -0.543 . . . . 21.039999999999999 110.749 179.911 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -50.78 -40.32 54.88 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.896 -0.593 . . . . 17.870000000000001 111.045 -179.962 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 60' ' ' ASP . . . . . 0.401 ' HA ' ' OG ' ' B' ' 63' ' ' SER . 22.7 t0 -66.04 -34.56 78.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 21.390000000000001 110.642 179.953 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.75 -42.63 85.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 14.99 110.448 179.615 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . 0.441 ' HB2' ' CD1' ' A' ' 74' ' ' LEU . 2.5 mm-40 -71.92 -48.36 46.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.943 -0.571 . . . . 15.91 111.262 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 63' ' ' SER . . . . . 0.401 ' OG ' ' HA ' ' B' ' 60' ' ' ASP . 1.8 p -51.76 -52.26 50.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.442 -0.345 . . . . 15.9 111.634 -179.343 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -57.21 -58.51 7.91 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.488 -0.324 . . . . 15.02 111.773 -179.169 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . 0.427 HD13 ' N ' ' B' ' 66' ' ' VAL . 1.6 pp -52.22 -32.84 38.48 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.869 -0.332 . . . . 6.8600000000000003 110.821 -179.624 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . 0.439 ' CG2' ' O ' ' B' ' 62' ' ' GLN . 92.9 t -61.13 -52.3 63.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.865 0.364 . . . . 10.199999999999999 111.029 179.805 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 7.8 ttmt -52.45 -35.76 53.14 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.206 -0.452 . . . . 21.199999999999999 110.886 -179.79 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.53 -38.43 87.14 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.25 -0.432 . . . . 18.870000000000001 111.493 -179.702 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 69' ' ' MET . . . . . 0.433 ' HG2' ' N ' ' B' ' 70' ' ' VAL . 2.5 ptt? -68.38 -39.07 81.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.938 0.399 . . . . 12.26 111.069 -179.668 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . 0.433 ' N ' ' HG2' ' B' ' 69' ' ' MET . 61.6 t -87.07 -25.13 6.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.109 -0.496 . . . . 14.94 111.547 -179.466 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -65.18 -36.89 85.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.812 0.339 . . . . 24.370000000000001 110.448 179.712 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -78.42 -44.2 25.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 27.399999999999999 110.534 179.586 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 73' ' ' THR . . . . . . . . . . . . . 53.5 m -57.91 -43.09 85.97 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.231 -0.441 . . . . 20.210000000000001 110.675 179.738 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 50.8 mt -64.45 -42.86 95.71 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.185 -0.462 . . . . 22.93 110.87 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -50.17 -40.61 47.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.446 . . . . 29.760000000000002 110.673 179.869 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -80.02 -31.17 39.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.938 -0.574 . . . . 31.120000000000001 110.68 179.759 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 23.9 mt -61.0 -38.06 84.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.014 -0.539 . . . . 29.809999999999999 110.839 179.901 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 78' ' ' TYR . . . . . 0.403 ' HB3' ' CB ' ' A' ' 55' ' ' ALA . 4.2 m-85 -84.65 -36.82 21.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 33.82 110.774 179.928 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 2.4 mmmt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.095 -0.502 . . . . 39.789999999999999 111.137 -179.984 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.852 0.358 . . . . 34.869999999999997 110.444 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -71.12 -54.81 9.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.056 -0.52 . . . . 30.66 110.204 179.343 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 57' ' ' ARG . . . . . . . . . . . . . 1.7 mtp85 -60.68 -40.48 92.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.869 -0.605 . . . . 38.380000000000003 110.26 179.311 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 14.7 mt -61.65 -52.99 62.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.86 -0.609 . . . . 32.530000000000001 110.783 179.589 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -49.28 -29.9 6.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.1 -0.5 . . . . 22.5 111.084 -179.935 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -81.57 -28.77 33.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 19.52 110.637 179.731 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -77.98 -47.58 18.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.08 -0.509 . . . . 20.920000000000002 110.682 179.826 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 51.0 mm-40 -59.48 -45.47 91.58 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.885 -0.598 . . . . 21.91 110.781 179.972 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 63' ' ' SER . . . . . . . . . . . . . 81.9 p -62.32 -35.71 79.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 18.34 110.698 179.85 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -58.43 -38.54 77.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 24.010000000000002 110.718 179.914 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 65' ' ' LEU . . . . . . . . . . . . . 1.9 mt -63.94 -45.0 91.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 22.059999999999999 110.676 179.887 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 66' ' ' VAL . . . . . . . . . . . . . 42.3 t -64.36 -40.59 89.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.087 -0.506 . . . . 15.07 110.906 179.938 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 67' ' ' LYS . . . . . . . . . . . . . 34.7 tttt -59.73 -51.23 70.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.098 -0.501 . . . . 8.0099999999999998 110.661 179.865 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 68' ' ' LYS . . . . . . . . . . . . . 2.0 ttmt -55.62 -38.16 69.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.266 -0.424 . . . . 18.370000000000001 110.556 179.76 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 69' ' ' MET . . . . . . . . . . . . . 46.9 ttp -63.22 -39.54 94.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.063 -0.517 . . . . 10.65 110.567 179.702 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 24.7 t -72.99 -45.73 53.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 10.779999999999999 110.661 179.794 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 71' ' ' PHE . . . . . 0.424 ' O ' ' HB2' ' C' ' 75' ' ' LYS . 22.0 t80 -51.37 -72.98 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.95 -0.389 . . . . 20.960000000000001 109.95 179.397 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -44.41 -34.57 2.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 14.99 111.063 179.409 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 73' ' ' THR . . . . . . . . . . . . . 18.0 m -68.21 -73.29 0.15 Allowed 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 116.248 -0.433 . . . . 8.8699999999999992 110.133 179.613 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 74' ' ' LEU . . . . . 0.451 ' CD1' ' HB2' ' D' ' 62' ' ' GLN . 20.4 mt -51.24 -32.0 22.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.036 -0.529 . . . . 14.93 111.089 179.864 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' C' C ' 75' ' ' LYS . . . . . 0.424 ' HB2' ' O ' ' C' ' 71' ' ' PHE . 2.2 ttmt -54.73 -61.89 2.02 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.286 -0.416 . . . . 17.440000000000001 110.599 179.766 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' C' C ' 76' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.22 -32.77 72.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 18.98 110.783 179.757 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.69 -65.82 0.63 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.074 -0.512 . . . . 21.16 110.465 179.875 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' C' C ' 78' ' ' TYR . . . . . 0.403 ' HA ' ' OG1' ' C' ' 81' ' ' THR . 21.1 m-30 -54.42 -26.67 32.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.845 0.355 . . . . 29.300000000000001 110.607 179.589 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 3.5 mttt -66.63 -41.03 88.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.473 . . . . 26.09 110.904 -179.984 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 5.1 ttpt -68.24 -33.73 74.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.426 . . . . 30.629999999999999 110.831 -179.926 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 81' ' ' THR . . . . . 0.403 ' OG1' ' HA ' ' C' ' 78' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.142 -0.481 . . . . 33.780000000000001 110.923 179.806 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 6.4 t70 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.79 0.328 . . . . 32.07 110.988 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' D' D ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.62 -48.24 81.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 29.420000000000002 111.209 -179.944 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -63.19 -44.2 96.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.295 -0.411 . . . . 32.159999999999997 110.911 179.957 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' D' D ' 57' ' ' ARG . . . . . . . . . . . . . 66.4 mtt-85 -62.1 -37.03 83.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 24.77 110.793 179.878 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' D' D ' 58' ' ' LEU . . . . . . . . . . . . . 36.3 mt -62.96 -53.48 53.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.055 -0.521 . . . . 21.210000000000001 110.773 179.978 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' D' D ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.15 -40.07 57.74 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.976 -0.556 . . . . 22.059999999999999 111.004 -179.953 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' D' D ' 60' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -66.15 -34.58 78.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.157 -0.474 . . . . 22.460000000000001 110.589 179.843 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' D' D ' 61' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.7 -42.58 86.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 16.16 110.552 179.667 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' D' D ' 62' ' ' GLN . . . . . 0.451 ' HB2' ' CD1' ' C' ' 74' ' ' LEU . 2.5 mm-40 -72.05 -48.34 45.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.89 -0.595 . . . . 11.550000000000001 111.302 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' D' D ' 63' ' ' SER . . . . . . . . . . . . . 1.8 p -51.68 -52.11 50.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.378 -0.374 . . . . 16.469999999999999 111.569 -179.294 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' D' D ' 64' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -57.3 -58.4 8.39 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 111.841 0.312 . . . . 14.26 111.841 -179.25 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' D' D ' 65' ' ' LEU . . . . . 0.426 HD13 ' N ' ' D' ' 66' ' ' VAL . 1.6 pp -52.32 -32.73 39.36 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.856 -0.338 . . . . 10.140000000000001 110.919 -179.586 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' D' D ' 66' ' ' VAL . . . . . 0.437 ' CG2' ' O ' ' D' ' 62' ' ' GLN . 93.7 t -61.15 -52.35 62.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.433 -0.348 . . . . 8.3599999999999994 111.006 179.736 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' D' D ' 67' ' ' LYS . . . . . . . . . . . . . 7.8 ttmt -52.38 -35.77 52.27 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.294 -0.412 . . . . 8.1500000000000004 110.864 -179.82 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' D' D ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.53 -38.76 87.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.248 -0.433 . . . . 13.43 111.431 -179.688 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' D' D ' 69' ' ' MET . . . . . 0.444 ' HG2' ' N ' ' D' ' 70' ' ' VAL . 2.5 ptt? -68.25 -39.04 82.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.878 0.37 . . . . 11.57 110.99 -179.677 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' D' D ' 70' ' ' VAL . . . . . 0.444 ' N ' ' HG2' ' D' ' 69' ' ' MET . 62.1 t -87.06 -25.04 6.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.175 -0.466 . . . . 13.85 111.661 -179.525 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -65.27 -36.94 85.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.836 0.35 . . . . 18.010000000000002 110.441 179.669 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -78.26 -44.32 25.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.115 -0.493 . . . . 25.350000000000001 110.525 179.575 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' D' D ' 73' ' ' THR . . . . . . . . . . . . . 53.0 m -57.77 -43.04 85.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.28 -0.418 . . . . 25.050000000000001 110.718 179.784 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' D' D ' 74' ' ' LEU . . . . . . . . . . . . . 51.5 mt -64.62 -43.0 95.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.107 -0.497 . . . . 25.43 110.771 -179.966 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' D' D ' 75' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -50.01 -40.7 45.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.277 -0.419 . . . . 25.859999999999999 110.694 179.865 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' D' D ' 76' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -79.99 -31.27 39.78 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.985 -0.552 . . . . 27.850000000000001 110.608 179.787 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' D' D ' 77' ' ' LEU . . . . . . . . . . . . . 23.8 mt -60.82 -38.24 84.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.044 -0.525 . . . . 28.559999999999999 110.824 179.922 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' D' D ' 78' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -84.34 -37.07 22.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 32.229999999999997 110.822 179.828 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' D' D ' 79' ' ' LYS . . . . . . . . . . . . . 2.4 mmmt . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.073 -0.512 . . . . 45.289999999999999 111.142 179.998 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.123 0 CA-C-O 120.803 0.335 . . . . 35.869999999999997 110.519 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 50.0 tt0 -66.3 -50.33 64.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.102 -0.499 . . . . 31.0 110.338 179.504 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.43 ' NH1' ' HB3' ' A' ' 57' ' ' ARG . 3.4 mtm105 -61.5 -47.3 86.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.891 -0.595 . . . . 38.18 110.089 179.265 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.8 mt -51.79 -51.59 55.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.688 -0.687 . . . . 27.93 110.697 179.586 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -50.16 -39.03 42.25 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.053 -0.521 . . . . 20.370000000000001 110.892 179.783 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -69.64 -27.25 64.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.963 -0.562 . . . . 20.68 110.543 179.657 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -77.42 -50.51 12.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.07 -0.513 . . . . 22.140000000000001 110.605 179.831 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.419 ' CA ' ' OE1' ' A' ' 62' ' ' GLN . 1.0 OUTLIER -60.4 -43.03 97.09 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.965 -0.561 . . . . 25.469999999999999 110.537 179.714 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 66.8 p -60.86 -37.4 81.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.117 -0.492 . . . . 18.129999999999999 110.653 179.627 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -58.18 -42.65 86.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 25.23 110.613 179.749 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 6.9 mt -59.91 -39.68 86.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 19.75 110.541 179.756 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 20.0 t -66.28 -43.83 91.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.086 -0.506 . . . . 16.59 110.932 179.657 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 43.9 tttt -58.12 -44.64 87.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.962 -0.563 . . . . 11.84 110.66 179.931 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 4.1 mtpt -59.69 -38.46 81.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.944 0.402 . . . . 13.710000000000001 110.714 179.822 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 47.4 ttp -66.83 -44.61 80.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.094 -0.503 . . . . 9.2100000000000009 110.698 179.747 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 71.1 t -71.44 -41.24 73.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.052 -0.522 . . . . 10.35 110.937 179.983 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.481 ' CZ ' ' HD3' ' A' ' 75' ' ' LYS . 39.8 t80 -56.35 -58.29 8.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.792 0.33 . . . . 13.49 110.234 179.817 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -54.02 -44.4 70.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 11.390000000000001 110.462 179.677 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 19.9 m -64.01 -69.74 0.26 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.227 -0.442 . . . . 12.06 110.346 179.572 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.475 ' CD1' ' CB ' ' B' ' 62' ' ' GLN . 10.7 mt -50.69 -38.15 45.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.103 -0.499 . . . . 15.5 111.111 -179.952 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.481 ' HD3' ' CZ ' ' A' ' 71' ' ' PHE . 6.8 ttpp -53.04 -69.51 0.11 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.064 0.459 . . . . 13.81 110.385 179.63 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -63.57 -28.58 70.03 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.637 -0.71 . . . . 17.34 111.135 179.965 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.416 ' HB3' ' HA ' ' A' ' 74' ' ' LEU . 1.9 tp -65.48 -56.22 13.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.488 -0.324 . . . . 21.449999999999999 110.91 -179.905 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 23.2 m-30 -63.18 -23.85 67.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.325 -0.398 . . . . 26.329999999999998 110.899 179.908 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.37 -29.43 62.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.349 -0.387 . . . . 27.84 110.851 179.944 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 4.1 mttt -78.69 -25.75 44.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 27.66 111.089 -179.802 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.326 -0.397 . . . . 34.579999999999998 111.013 -179.994 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 14.1 p-10 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.891 0.377 . . . . 33.93 110.776 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -54.0 -45.78 71.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.948 -0.569 . . . . 31.82 110.954 179.879 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.01 -51.0 52.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.026 -0.534 . . . . 32.090000000000003 110.579 179.782 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 51.1 mtp180 -54.94 -34.48 63.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 28.789999999999999 110.552 179.738 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . 0.42 ' CD2' HG23 ' D' ' 73' ' ' THR . 6.4 mt -66.47 -60.72 2.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.074 -0.512 . . . . 22.899999999999999 110.586 179.753 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -47.28 -33.34 5.51 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.965 -0.561 . . . . 21.149999999999999 110.873 179.792 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -64.44 -42.14 96.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.088 -0.505 . . . . 18.899999999999999 110.35 179.483 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -67.55 -37.23 82.39 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.985 -0.552 . . . . 12.550000000000001 110.359 179.509 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . 0.475 ' CB ' ' CD1' ' A' ' 74' ' ' LEU . 5.6 mm-40 -67.67 -43.07 81.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.915 -0.584 . . . . 11.16 110.382 179.505 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.58 -64.09 0.96 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.949 -0.569 . . . . 17.07 110.884 179.972 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -49.44 -30.24 7.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.102 -0.499 . . . . 18.300000000000001 110.979 -179.898 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.11 -38.99 72.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 11.619999999999999 110.842 179.897 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 2.2 t -68.68 -39.33 80.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.139 -0.482 . . . . 9.7699999999999996 110.988 -179.882 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 67' ' ' LYS . . . . . 0.417 ' O ' ' N ' ' B' ' 71' ' ' PHE . 13.9 ttpt -57.24 -58.81 6.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.049 -0.523 . . . . 15.65 110.981 -179.898 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -52.37 -33.34 42.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.36 -0.382 . . . . 11.08 110.731 179.962 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 69' ' ' MET . . . . . . . . . . . . . 54.7 ttp -67.8 -54.16 21.35 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.251 -0.431 . . . . 10.960000000000001 110.935 179.953 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 35.6 t -75.37 -20.56 16.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.276 -0.42 . . . . 10.93 111.39 -179.859 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.417 ' N ' ' O ' ' B' ' 67' ' ' LYS . 17.6 t80 -61.99 -45.95 91.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.921 0.391 . . . . 18.170000000000002 110.478 179.76 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -69.49 -45.5 68.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.028 -0.533 . . . . 24.32 110.618 179.709 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 73' ' ' THR . . . . . . . . . . . . . 52.5 m -54.57 -48.95 71.47 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.197 -0.456 . . . . 22.98 110.792 179.848 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 61.7 mt -59.48 -42.13 91.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.44 . . . . 27.02 110.86 179.977 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 3.1 tttp -50.18 -44.49 52.88 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.163 -0.471 . . . . 32.210000000000001 110.818 179.946 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -76.45 -26.31 55.29 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.963 -0.562 . . . . 28.52 110.749 179.869 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . 0.476 ' CD1' ' CD1' ' C' ' 78' ' ' TYR . 19.6 mt -67.42 -34.92 78.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 28.190000000000001 110.837 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -77.39 -58.71 3.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 33.920000000000002 110.867 -179.972 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.33 -0.396 . . . . 43.039999999999999 110.741 179.924 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.145 0 CA-C-O 120.925 0.393 . . . . 31.0 110.533 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 49.9 tt0 -66.34 -50.32 63.97 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.104 -0.498 . . . . 27.449999999999999 110.347 179.454 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 57' ' ' ARG . . . . . 0.427 ' HB3' ' NH1' ' C' ' 57' ' ' ARG . 3.5 mtm105 -61.56 -47.11 86.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.985 -0.552 . . . . 27.899999999999999 110.101 179.266 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 6.8 mt -51.84 -51.74 54.43 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.721 -0.672 . . . . 30.239999999999998 110.585 179.565 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -50.11 -38.94 41.27 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.115 -0.493 . . . . 25.789999999999999 110.833 179.892 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -69.77 -27.37 64.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.99 -0.55 . . . . 27.210000000000001 110.477 179.702 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -77.19 -50.59 12.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.029 -0.532 . . . . 27.010000000000002 110.642 179.764 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 62' ' ' GLN . . . . . 0.427 ' CA ' ' OE1' ' C' ' 62' ' ' GLN . 1.0 OUTLIER -60.25 -43.19 96.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.923 -0.58 . . . . 19.760000000000002 110.62 179.671 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' C' C ' 63' ' ' SER . . . . . . . . . . . . . 64.3 p -60.77 -37.38 81.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.027 -0.533 . . . . 16.309999999999999 110.536 179.705 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -58.19 -42.83 86.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 15.789999999999999 110.602 179.761 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 65' ' ' LEU . . . . . . . . . . . . . 7.0 mt -59.78 -39.76 86.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 18.719999999999999 110.503 179.72 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 66' ' ' VAL . . . . . . . . . . . . . 19.5 t -66.27 -43.71 91.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 10.050000000000001 110.793 179.611 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 67' ' ' LYS . . . . . 0.443 ' HG3' ' CB ' ' D' ' 63' ' ' SER . 42.2 tttt -57.71 -45.23 86.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.078 -0.51 . . . . 18.25 110.681 179.925 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' C' C ' 68' ' ' LYS . . . . . . . . . . . . . 4.1 mtpt -59.7 -38.26 81.11 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.221 -0.445 . . . . 24.109999999999999 110.682 -179.959 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 69' ' ' MET . . . . . . . . . . . . . 47.6 ttp -66.97 -44.53 80.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.476 . . . . 9.9700000000000006 110.719 179.763 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 68.1 t -71.38 -41.02 73.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.069 -0.514 . . . . 6.4100000000000001 111.121 179.919 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 71' ' ' PHE . . . . . 0.477 ' CZ ' ' HD3' ' C' ' 75' ' ' LYS . 40.1 t80 -56.72 -58.35 8.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.755 0.312 . . . . 18.870000000000001 110.24 179.686 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -53.86 -44.34 70.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 11.5 110.525 179.648 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 73' ' ' THR . . . . . . . . . . . . . 19.9 m -64.23 -69.67 0.27 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.136 -0.484 . . . . 11.539999999999999 110.312 179.605 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 74' ' ' LEU . . . . . 0.446 ' CD1' ' CB ' ' D' ' 62' ' ' GLN . 10.8 mt -50.59 -38.4 45.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 19.059999999999999 111.068 -179.956 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' C' C ' 75' ' ' LYS . . . . . 0.477 ' HD3' ' CZ ' ' C' ' 71' ' ' PHE . 6.9 ttpp -52.83 -69.7 0.11 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.104 0.478 . . . . 21.0 110.383 179.603 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' C' C ' 76' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -63.51 -28.52 70.01 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.685 -0.689 . . . . 16.77 111.171 -179.988 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 2.0 tp -65.66 -56.31 12.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.418 -0.356 . . . . 20.329999999999998 110.788 -179.822 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 78' ' ' TYR . . . . . 0.476 ' CD1' ' CD1' ' B' ' 77' ' ' LEU . 23.0 m-30 -63.07 -23.81 67.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.366 -0.379 . . . . 27.02 110.974 179.853 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.33 -29.61 62.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.315 -0.402 . . . . 27.289999999999999 110.781 179.922 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 4.3 mttt -78.44 -25.69 46.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.346 -0.388 . . . . 30.469999999999999 111.16 -179.817 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.271 -0.422 . . . . 34.340000000000003 110.936 -179.85 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 14.0 p-10 . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.954 0.406 . . . . 34.380000000000003 110.753 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' D' D ' 55' ' ' ALA . . . . . . . . . . . . . . . -54.15 -45.65 72.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.065 -0.516 . . . . 34.0 110.892 179.841 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.94 -50.9 53.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.088 -0.505 . . . . 31.489999999999998 110.681 179.738 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' D' D ' 57' ' ' ARG . . . . . . . . . . . . . 50.9 mtp180 -55.16 -34.44 63.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.063 -0.517 . . . . 23.800000000000001 110.564 179.756 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' D' D ' 58' ' ' LEU . . . . . . . . . . . . . 6.3 mt -66.45 -60.54 2.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.971 -0.559 . . . . 19.600000000000001 110.645 179.693 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' D' D ' 59' ' ' ALA . . . . . . . . . . . . . . . -47.45 -33.37 6.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.878 -0.601 . . . . 18.690000000000001 110.938 179.829 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' D' D ' 60' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -64.4 -41.87 96.42 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.121 -0.491 . . . . 24.690000000000001 110.311 179.454 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' D' D ' 61' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -67.8 -37.31 81.84 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.06 -0.518 . . . . 17.190000000000001 110.377 179.44 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' D' D ' 62' ' ' GLN . . . . . 0.446 ' CB ' ' CD1' ' C' ' 74' ' ' LEU . 5.6 mm-40 -67.66 -42.58 81.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.958 -0.564 . . . . 15.800000000000001 110.372 179.496 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' D' D ' 63' ' ' SER . . . . . 0.443 ' CB ' ' HG3' ' C' ' 67' ' ' LYS . 0.1 OUTLIER -56.09 -64.4 0.87 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.878 -0.601 . . . . 14.470000000000001 110.956 179.84 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' D' D ' 64' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -49.09 -30.34 6.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 8.6199999999999992 110.964 -179.997 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' D' D ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.01 -39.42 72.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.488 . . . . 6.2199999999999998 110.811 179.863 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' D' D ' 66' ' ' VAL . . . . . . . . . . . . . 2.2 t -68.43 -38.79 79.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.249 -0.432 . . . . 7.4500000000000002 111.104 -179.943 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' D' D ' 67' ' ' LYS . . . . . 0.4 ' O ' ' N ' ' D' ' 71' ' ' PHE . 14.0 ttpt -57.75 -58.81 6.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.175 -0.466 . . . . 17.050000000000001 110.922 -179.86 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' D' D ' 68' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -52.15 -33.47 40.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.45 -0.341 . . . . 20.02 110.743 179.95 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' D' D ' 69' ' ' MET . . . . . . . . . . . . . 54.8 ttp -67.69 -54.35 20.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 13.1 110.991 179.959 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' D' D ' 70' ' ' VAL . . . . . . . . . . . . . 37.3 t -75.03 -20.79 16.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 15.800000000000001 111.401 -179.922 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' D' D ' 71' ' ' PHE . . . . . 0.4 ' N ' ' O ' ' D' ' 67' ' ' LYS . 17.5 t80 -61.85 -46.0 91.34 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.918 0.389 . . . . 26.370000000000001 110.512 179.753 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -69.4 -45.56 68.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.056 -0.52 . . . . 29.030000000000001 110.558 179.735 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' D' D ' 73' ' ' THR . . . . . 0.42 HG23 ' CD2' ' B' ' 58' ' ' LEU . 53.3 m -54.58 -49.1 71.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 22.140000000000001 110.778 179.875 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' D' D ' 74' ' ' LEU . . . . . . . . . . . . . 60.8 mt -59.42 -41.99 90.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 20.989999999999998 110.857 -179.996 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' D' D ' 75' ' ' LYS . . . . . . . . . . . . . 3.0 tttp -50.32 -44.37 54.18 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.23 -0.441 . . . . 26.690000000000001 110.807 179.894 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' D' D ' 76' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -76.53 -26.27 55.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.057 -0.519 . . . . 30.949999999999999 110.684 179.879 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' D' D ' 77' ' ' LEU . . . . . . . . . . . . . 19.6 mt -67.43 -34.78 77.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.064 -0.517 . . . . 30.09 110.93 179.978 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' D' D ' 78' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -77.68 -58.17 3.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 33.07 111.012 -179.996 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' D' D ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.326 -0.397 . . . . 42.380000000000003 110.726 179.927 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.132 0 CA-C-O 120.897 0.38 . . . . 34.409999999999997 110.583 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.28 -55.98 25.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.077 -0.51 . . . . 30.309999999999999 110.38 179.431 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 54.7 ttp180 -64.62 -49.07 72.51 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.866 -0.607 . . . . 37.450000000000003 110.257 179.451 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.423 HD11 ' CE1' ' B' ' 78' ' ' TYR . 1.3 tm? -54.78 -51.24 66.36 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.815 -0.629 . . . . 32.270000000000003 110.298 179.435 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.25 -44.03 88.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.989 -0.55 . . . . 25.059999999999999 110.862 179.541 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -52.18 -37.35 54.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.048 -0.524 . . . . 22.739999999999998 110.763 179.897 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -72.37 -41.5 66.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 22.510000000000002 110.847 179.929 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 69.9 mm-40 -63.21 -39.83 95.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.116 -0.493 . . . . 20.489999999999998 110.619 179.756 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 14.9 p -71.08 -33.0 69.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.087 -0.506 . . . . 18.420000000000002 110.628 179.772 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -69.65 -34.14 73.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 23.780000000000001 110.699 179.811 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.2 mt -70.3 -40.53 74.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.055 -0.52 . . . . 21.0 110.768 179.884 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 45.4 t -69.2 -40.58 80.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.135 -0.484 . . . . 13.800000000000001 110.874 179.745 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 24.1 tttt -64.19 -43.71 94.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.996 -0.547 . . . . 9.5700000000000003 110.719 179.844 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 21.3 mtpt -60.82 -38.35 85.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 20.370000000000001 110.558 179.682 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 20.7 ttp -65.59 -43.44 89.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.086 -0.506 . . . . 11.51 110.686 179.815 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 78.6 t -71.28 -42.71 74.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.109 -0.496 . . . . 9.1099999999999994 110.969 179.942 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.421 ' O ' ' CB ' ' A' ' 75' ' ' LYS . 10.7 t80 -51.86 -60.48 3.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.819 0.342 . . . . 22.02 110.505 179.738 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -53.35 -47.73 69.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 13.859999999999999 110.665 179.795 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.2 m -60.19 -69.86 0.2 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.362 -0.381 . . . . 8.3699999999999992 110.301 179.65 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.459 ' CD1' ' HB2' ' B' ' 62' ' ' GLN . 15.2 mt -51.06 -37.2 44.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.082 -0.508 . . . . 15.33 111.112 -179.945 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.421 ' CB ' ' O ' ' A' ' 71' ' ' PHE . 14.7 ttpt -55.67 -67.41 0.29 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.127 0.489 . . . . 18.960000000000001 110.135 179.467 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.13 -30.34 71.51 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.561 -0.745 . . . . 19.149999999999999 110.848 179.695 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.406 ' HB3' ' HA ' ' A' ' 74' ' ' LEU . 1.2 tp -65.25 -56.04 14.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.374 -0.375 . . . . 21.030000000000001 110.539 179.947 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 22.5 m-30 -62.17 -26.37 68.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.913 0.387 . . . . 29.399999999999999 110.417 179.454 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.15 -30.08 68.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.009 -0.541 . . . . 26.41 110.708 179.821 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.7 tttt -59.96 -37.97 81.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 31.68 110.732 179.915 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 32.3 p . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 115.975 -0.557 . . . . 34.640000000000001 110.88 179.923 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.813 0.339 . . . . 31.379999999999999 110.921 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -51.09 -40.26 57.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.299 -0.41 . . . . 29.52 110.872 179.839 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -72.69 -49.72 29.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.014 -0.539 . . . . 30.670000000000002 110.578 179.712 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 31.5 mtt85 -56.15 -36.36 68.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.117 -0.492 . . . . 22.879999999999999 110.531 179.803 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . 0.429 ' CD2' HG23 ' D' ' 73' ' ' THR . 51.7 mt -66.68 -62.44 1.45 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.028 -0.533 . . . . 19.760000000000002 110.626 179.682 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -47.92 -29.36 3.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.78 -0.645 . . . . 21.0 111.054 179.896 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 62.8 t0 -79.24 -33.05 43.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 23.02 110.571 179.781 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.02 -41.0 74.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 17.390000000000001 110.212 179.448 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . 0.459 ' HB2' ' CD1' ' A' ' 74' ' ' LEU . 2.0 mm-40 -73.67 -47.64 38.27 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.819 -0.628 . . . . 11.67 110.485 179.736 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 48.9 p -52.11 -55.65 19.51 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.316 -0.402 . . . . 15.619999999999999 110.549 179.91 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . 0.423 ' HG3' ' N ' ' B' ' 65' ' ' LEU . 10.3 pt-20 -52.71 -36.81 58.02 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 116.226 -0.443 . . . . 12.06 110.201 179.383 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . 0.423 ' N ' ' HG3' ' B' ' 64' ' ' GLU . 0.2 OUTLIER -62.74 -37.8 88.02 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.826 -0.624 . . . . 9.1199999999999992 110.489 179.412 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . 0.406 ' HA ' ' HG2' ' B' ' 69' ' ' MET . 23.3 t -68.52 -36.75 76.05 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.145 -0.479 . . . . 8.0600000000000005 111.446 -179.958 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 67' ' ' LYS . . . . . 0.432 ' O ' ' CB ' ' B' ' 71' ' ' PHE . 3.4 tttm -68.97 -33.91 74.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.329 -0.396 . . . . 6.25 110.905 -179.796 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 9.9 mttp -75.4 -38.68 59.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.256 -0.429 . . . . 16.82 110.857 179.981 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 69' ' ' MET . . . . . 0.431 ' CE ' ' HB3' ' D' ' 62' ' ' GLN . 18.5 ptt? -76.2 -33.88 59.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.301 -0.409 . . . . 12.07 110.901 179.889 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 68.7 t -84.48 -25.69 7.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 14.130000000000001 111.317 -179.798 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.432 ' CB ' ' O ' ' B' ' 67' ' ' LYS . 21.2 t80 -71.67 -34.58 69.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.888 0.375 . . . . 21.359999999999999 110.296 179.536 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.35 -46.66 47.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.987 -0.551 . . . . 26.309999999999999 110.555 179.621 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 73' ' ' THR . . . . . . . . . . . . . 95.1 m -52.65 -52.21 56.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 25.050000000000001 110.6 179.772 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 48.7 mt -56.73 -42.52 79.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 24.0 110.645 179.728 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 3.4 tptp -52.64 -44.03 65.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.234 -0.439 . . . . 25.09 110.35 179.549 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -74.37 -29.47 61.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.825 -0.625 . . . . 28.390000000000001 110.407 179.454 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 27.5 mt -63.64 -52.0 62.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.883 -0.599 . . . . 29.77 110.651 179.845 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 78' ' ' TYR . . . . . 0.423 ' CE1' HD11 ' A' ' 58' ' ' LEU . 20.1 m-85 -73.34 -37.37 66.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 31.870000000000001 110.605 179.761 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 27.3 ttpp . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 115.964 -0.562 . . . . 43.670000000000002 110.886 179.958 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.846 0.355 . . . . 32.259999999999998 110.524 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.3 -55.88 26.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.025 -0.534 . . . . 29.18 110.375 179.546 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' C' C ' 57' ' ' ARG . . . . . . . . . . . . . 54.7 ttp180 -64.69 -49.14 72.08 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.904 -0.589 . . . . 33.020000000000003 110.231 179.477 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -54.71 -51.33 65.93 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.767 -0.651 . . . . 26.170000000000002 110.251 179.39 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.25 -43.89 88.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.106 -0.497 . . . . 23.039999999999999 110.861 179.584 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -52.38 -37.08 55.5 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.024 -0.534 . . . . 27.18 110.796 179.871 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -72.53 -41.65 65.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.274 -0.421 . . . . 26.77 110.772 179.869 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 70.5 mm-40 -62.99 -39.83 95.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.093 -0.503 . . . . 23.809999999999999 110.682 179.727 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 63' ' ' SER . . . . . . . . . . . . . 14.8 p -71.0 -33.05 70.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.062 -0.517 . . . . 16.719999999999999 110.658 179.787 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -69.73 -34.02 73.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.083 -0.508 . . . . 22.219999999999999 110.713 179.836 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 65' ' ' LEU . . . . . . . . . . . . . 1.2 mt -70.25 -40.75 74.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 16.32 110.69 179.814 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 66' ' ' VAL . . . . . . . . . . . . . 45.7 t -68.96 -40.92 81.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 12.83 110.873 179.771 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 67' ' ' LYS . . . . . . . . . . . . . 24.1 tttt -63.99 -43.71 94.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.994 -0.548 . . . . 19.949999999999999 110.713 179.907 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 68' ' ' LYS . . . . . . . . . . . . . 21.1 mtpt -60.87 -38.25 84.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 18.079999999999998 110.581 179.737 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 69' ' ' MET . . . . . . . . . . . . . 20.8 ttp -65.73 -43.29 89.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.05 -0.523 . . . . 7.0 110.704 179.764 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 77.8 t -71.33 -42.9 74.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 7.79 110.872 179.863 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 71' ' ' PHE . . . . . 0.427 ' O ' ' CB ' ' C' ' 75' ' ' LYS . 10.6 t80 -51.55 -60.65 2.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.784 0.325 . . . . 8.5500000000000007 110.475 179.671 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -53.34 -47.35 69.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 10.09 110.671 179.918 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 73' ' ' THR . . . . . . . . . . . . . 18.1 m -60.7 -69.76 0.21 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.318 -0.401 . . . . 14.779999999999999 110.277 179.742 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 74' ' ' LEU . . . . . 0.465 ' CD1' ' HB2' ' D' ' 62' ' ' GLN . 15.5 mt -51.14 -36.98 43.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.059 -0.519 . . . . 18.75 111.134 -179.965 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' C' C ' 75' ' ' LYS . . . . . 0.427 ' CB ' ' O ' ' C' ' 71' ' ' PHE . 14.8 ttpt -55.91 -67.43 0.29 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.128 0.49 . . . . 18.460000000000001 110.073 179.442 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' C' C ' 76' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.03 -30.45 71.61 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.541 -0.754 . . . . 14.76 110.903 179.676 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' C' C ' 77' ' ' LEU . . . . . 0.404 ' HB3' ' HA ' ' C' ' 74' ' ' LEU . 1.3 tp -65.16 -55.97 15.58 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.407 -0.36 . . . . 20.289999999999999 110.564 179.968 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' C' C ' 78' ' ' TYR . . . . . . . . . . . . . 22.4 m-30 -62.29 -26.35 68.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.291 -0.413 . . . . 23.93 110.369 179.501 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.13 -29.9 68.05 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.026 -0.534 . . . . 29.149999999999999 110.743 179.893 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 3.7 tttt -60.11 -37.87 81.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.477 . . . . 27.41 110.707 179.878 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 81' ' ' THR . . . . . . . . . . . . . 31.5 p . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.027 -0.533 . . . . 34.109999999999999 110.893 179.952 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.817 0.341 . . . . 34.009999999999998 110.975 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' D' D ' 55' ' ' ALA . . . . . . . . . . . . . . . -51.01 -40.61 58.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.303 -0.408 . . . . 34.549999999999997 110.772 179.874 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -72.46 -49.81 30.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.103 -0.499 . . . . 30.719999999999999 110.581 179.769 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' D' D ' 57' ' ' ARG . . . . . . . . . . . . . 31.3 mtt85 -56.01 -36.56 68.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.468 . . . . 33.380000000000003 110.548 179.698 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' D' D ' 58' ' ' LEU . . . . . . . . . . . . . 50.7 mt -66.65 -62.1 1.63 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 21.460000000000001 110.651 179.764 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' D' D ' 59' ' ' ALA . . . . . 0.406 ' HB3' ' CB ' ' C' ' 74' ' ' LEU . . . -48.15 -29.26 3.52 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.845 -0.616 . . . . 17.460000000000001 111.059 179.891 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' D' D ' 60' ' ' ASP . . . . . . . . . . . . . 62.5 t0 -79.39 -33.01 43.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.084 -0.507 . . . . 18.260000000000002 110.526 179.777 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' D' D ' 61' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.81 -41.17 75.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.104 -0.498 . . . . 12.81 110.27 179.351 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' D' D ' 62' ' ' GLN . . . . . 0.465 ' HB2' ' CD1' ' C' ' 74' ' ' LEU . 2.1 mm-40 -73.46 -47.54 40.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.734 -0.666 . . . . 14.66 110.603 179.671 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' D' D ' 63' ' ' SER . . . . . . . . . . . . . 50.5 p -52.31 -55.69 19.74 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.274 -0.421 . . . . 15.25 110.529 -179.992 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' D' D ' 64' ' ' GLU . . . . . 0.421 ' HG3' ' N ' ' D' ' 65' ' ' LEU . 10.2 pt-20 -52.69 -36.68 57.62 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 116.141 -0.481 . . . . 15.08 110.124 179.473 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' D' D ' 65' ' ' LEU . . . . . 0.421 ' N ' ' HG3' ' D' ' 64' ' ' GLU . 0.2 OUTLIER -62.77 -37.88 88.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.869 -0.605 . . . . 8.3399999999999999 110.43 179.399 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' D' D ' 66' ' ' VAL . . . . . . . . . . . . . 22.3 t -68.54 -36.72 75.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.122 -0.49 . . . . 10.49 111.448 -179.971 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' D' D ' 67' ' ' LYS . . . . . 0.423 ' O ' ' CB ' ' D' ' 71' ' ' PHE . 3.5 tttm -68.95 -33.9 74.47 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.357 -0.383 . . . . 21.629999999999999 110.919 -179.796 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' D' D ' 68' ' ' LYS . . . . . . . . . . . . . 10.0 mttp -75.27 -38.54 60.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.319 -0.4 . . . . 13.34 110.944 179.958 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' D' D ' 69' ' ' MET . . . . . 0.436 ' CE ' ' HB3' ' B' ' 62' ' ' GLN . 18.6 ptt? -76.44 -33.63 58.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.32 -0.4 . . . . 11.82 110.823 179.915 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' D' D ' 70' ' ' VAL . . . . . . . . . . . . . 67.8 t -84.65 -25.83 7.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.188 -0.46 . . . . 13.869999999999999 111.244 -179.824 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' D' D ' 71' ' ' PHE . . . . . 0.423 ' CB ' ' O ' ' D' ' 67' ' ' LYS . 21.1 t80 -71.32 -34.69 70.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.988 0.423 . . . . 22.539999999999999 110.413 179.437 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.31 -47.02 46.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.961 -0.563 . . . . 26.359999999999999 110.544 179.642 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' D' D ' 73' ' ' THR . . . . . 0.429 HG23 ' CD2' ' B' ' 58' ' ' LEU . 96.2 m -52.36 -52.3 54.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 20.32 110.574 179.735 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' D' D ' 74' ' ' LEU . . . . . . . . . . . . . 48.8 mt -56.53 -42.75 78.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 24.879999999999999 110.661 179.74 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' D' D ' 75' ' ' LYS . . . . . . . . . . . . . 3.3 tptp -52.4 -44.24 65.23 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.091 0.472 . . . . 31.48 110.319 179.572 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' D' D ' 76' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -74.34 -29.33 61.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.814 -0.63 . . . . 31.379999999999999 110.487 179.544 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' D' D ' 77' ' ' LEU . . . . . . . . . . . . . 27.4 mt -63.6 -52.09 62.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.89 -0.596 . . . . 30.5 110.64 179.787 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' D' D ' 78' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -73.5 -37.04 65.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.034 -0.53 . . . . 35.299999999999997 110.635 179.79 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' D' D ' 79' ' ' LYS . . . . . . . . . . . . . 27.4 ttpp . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 115.945 -0.571 . . . . 40.240000000000002 110.902 -179.999 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.237 0 CA-C-O 120.897 0.379 . . . . 35.68 110.65 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -63.23 -44.03 96.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.043 -0.526 . . . . 31.550000000000001 110.317 179.486 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 41.9 ttm-85 -67.72 -42.77 81.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.834 -0.621 . . . . 38.689999999999998 110.348 179.493 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 12.0 mt -57.91 -48.52 79.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.805 -0.634 . . . . 28.789999999999999 110.648 179.655 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.92 -41.57 62.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.094 -0.503 . . . . 20.66 110.78 179.883 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -72.56 -31.54 65.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.122 -0.49 . . . . 19.829999999999998 110.589 179.85 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.96 -51.68 30.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 21.57 110.76 179.771 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.415 ' HB2' ' CD1' ' B' ' 74' ' ' LEU . 47.7 mm-40 -58.2 -44.64 88.22 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.989 -0.55 . . . . 24.899999999999999 110.664 179.778 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.3 p -62.76 -35.42 79.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.488 . . . . 18.789999999999999 110.761 179.849 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -57.64 -41.94 82.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.079 -0.509 . . . . 26.789999999999999 110.723 179.955 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.1 mt -64.41 -39.17 93.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.264 -0.426 . . . . 20.32 110.615 179.797 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 49.1 t -69.5 -45.91 77.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 15.99 111.012 179.82 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 17.0 tttm -59.24 -57.68 11.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.29 -0.414 . . . . 10.81 110.355 179.708 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.71 -31.43 64.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.475 . . . . 14.449999999999999 110.213 179.503 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 13.6 tmm? -69.49 -42.7 74.42 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.952 -0.567 . . . . 9.9299999999999997 110.467 179.523 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 44.1 t -69.52 -33.13 55.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.032 -0.531 . . . . 10.369999999999999 110.575 179.678 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.431 ' O ' ' CB ' ' A' ' 75' ' ' LYS . 10.8 t80 -55.08 -58.39 7.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.338 -0.392 . . . . 16.460000000000001 110.344 179.641 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -52.44 -50.92 61.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 13.300000000000001 110.722 179.834 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.8 m -57.17 -71.17 0.1 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.363 -0.38 . . . . 10.789999999999999 110.287 179.702 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.467 ' CD1' ' CB ' ' B' ' 62' ' ' GLN . 12.9 mt -49.75 -37.36 29.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 14.449999999999999 111.013 -179.925 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.431 ' CB ' ' O ' ' A' ' 71' ' ' PHE . 2.9 ttpt -54.9 -68.75 0.16 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.142 -0.481 . . . . 13.99 110.367 179.406 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.37 -25.04 67.7 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.541 -0.754 . . . . 17.420000000000002 111.016 179.813 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.414 ' HB3' ' HA ' ' A' ' 74' ' ' LEU . 0.7 OUTLIER -71.72 -65.56 0.75 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.311 -0.404 . . . . 21.219999999999999 110.765 -179.917 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.409 ' CD1' ' CD1' ' D' ' 77' ' ' LEU . 18.9 m-85 -52.5 -32.45 40.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.814 0.34 . . . . 27.329999999999998 110.575 179.714 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 14.8 ttmt -58.77 -35.12 72.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 25.699999999999999 110.577 179.74 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 7.9 ttpt -70.06 -29.06 65.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 28.59 110.731 179.777 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 35.450000000000003 110.97 179.973 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.771 0.32 . . . . 34.659999999999997 110.909 . . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.08 -44.47 95.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.431 . . . . 31.399999999999999 110.942 179.881 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.34 -48.99 71.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.074 -0.512 . . . . 34.530000000000001 110.7 179.806 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 78.9 mtt180 -57.3 -34.24 68.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.106 -0.497 . . . . 30.379999999999999 110.761 179.91 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 17.2 mt -67.58 -59.4 3.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.079 -0.509 . . . . 23.09 110.994 -179.91 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -46.36 -34.75 4.83 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.941 -0.572 . . . . 21.93 111.11 179.967 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -62.33 -48.67 78.82 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.0 -0.545 . . . . 18.399999999999999 110.535 179.746 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 91.9 mt-10 -61.8 -33.38 74.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.1 -0.5 . . . . 13.279999999999999 110.556 179.739 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . 0.467 ' CB ' ' CD1' ' A' ' 74' ' ' LEU . 6.1 mm-40 -71.95 -49.54 36.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.112 -0.494 . . . . 11.289999999999999 110.549 179.707 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 1.3 m -52.05 -60.26 3.4 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.125 -0.489 . . . . 17.34 110.763 -179.969 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 26.4 pt-20 -51.08 -35.32 34.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 18.75 110.793 179.888 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.33 -41.16 81.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 11.52 110.697 179.776 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 17.6 t -64.55 -35.7 75.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.268 -0.424 . . . . 9.4199999999999999 111.107 179.923 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 67' ' ' LYS . . . . . 0.403 ' O ' ' N ' ' B' ' 71' ' ' PHE . 11.8 tttt -63.05 -53.11 58.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 14.9 110.922 -179.901 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.11 -30.68 64.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.896 0.379 . . . . 10.35 110.601 179.928 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 69' ' ' MET . . . . . . . . . . . . . 49.9 ttp -71.82 -53.99 11.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.04 -0.527 . . . . 10.84 110.805 179.86 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 61.0 t -74.55 -20.65 17.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 10.42 111.253 -179.974 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.403 ' N ' ' O ' ' B' ' 67' ' ' LYS . 21.9 t80 -65.21 -49.38 69.93 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.44 -0.345 . . . . 17.699999999999999 110.623 179.777 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -65.05 -41.2 95.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 23.739999999999998 110.65 179.737 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 73' ' ' THR . . . . . . . . . . . . . 96.0 m -58.19 -58.45 8.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 23.920000000000002 110.847 179.883 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 74' ' ' LEU . . . . . 0.415 ' CD1' ' HB2' ' A' ' 62' ' ' GLN . 30.0 mt -51.63 -42.08 61.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 26.920000000000002 110.934 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -50.46 -48.48 56.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.983 0.42 . . . . 29.079999999999998 110.786 179.864 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.57 -32.11 67.71 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.927 -0.578 . . . . 28.210000000000001 110.616 179.695 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . 0.435 ' CD1' ' CD1' ' C' ' 78' ' ' TYR . 20.3 mt -58.5 -39.67 80.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.015 -0.539 . . . . 29.030000000000001 110.734 179.916 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 26.5 m-85 -85.01 -42.78 14.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 34.130000000000003 110.716 179.81 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 31.6 ttpt . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.046 -0.525 . . . . 43.039999999999999 110.945 179.963 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.195 0 CA-C-O 120.874 0.368 . . . . 30.829999999999998 110.572 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -63.36 -43.91 96.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.068 -0.514 . . . . 28.09 110.32 179.506 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 57' ' ' ARG . . . . . . . . . . . . . 42.6 ttm-85 -67.9 -42.73 80.7 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.852 -0.613 . . . . 26.870000000000001 110.326 179.472 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 12.1 mt -57.82 -48.55 79.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.805 -0.634 . . . . 29.07 110.648 179.552 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.94 -41.38 61.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.026 -0.534 . . . . 25.420000000000002 110.874 179.887 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -72.82 -31.4 64.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.123 -0.489 . . . . 26.690000000000001 110.571 179.84 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.97 -51.82 29.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 27.039999999999999 110.686 179.778 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 47.6 mm-40 -58.14 -44.48 87.84 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.95 -0.568 . . . . 19.82 110.748 179.795 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 63' ' ' SER . . . . . . . . . . . . . 3.3 p -63.02 -35.35 79.93 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.008 -0.542 . . . . 16.07 110.702 179.91 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -57.52 -41.95 81.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 18.43 110.81 179.857 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 65' ' ' LEU . . . . . . . . . . . . . 2.1 mt -64.47 -39.08 93.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 18.140000000000001 110.619 179.784 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 66' ' ' VAL . . . . . . . . . . . . . 50.9 t -69.5 -45.87 77.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 10.09 110.967 179.842 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 67' ' ' LYS . . . . . . . . . . . . . 17.2 tttm -59.28 -57.93 10.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.213 -0.449 . . . . 19.77 110.416 179.626 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.54 -31.46 64.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 20.719999999999999 110.277 179.489 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' C' C ' 69' ' ' MET . . . . . . . . . . . . . 13.6 tmm? -69.37 -42.62 74.94 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.994 -0.548 . . . . 9.0899999999999999 110.528 179.52 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 43.4 t -69.58 -33.03 54.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.918 -0.583 . . . . 5.9299999999999997 110.612 179.68 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 71' ' ' PHE . . . . . 0.423 ' O ' ' CB ' ' C' ' 75' ' ' LYS . 10.7 t80 -55.22 -58.36 8.0 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.198 -0.455 . . . . 18.82 110.321 179.701 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -52.5 -50.99 61.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 10.039999999999999 110.664 179.82 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 73' ' ' THR . . . . . . . . . . . . . 18.9 m -57.03 -71.13 0.1 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.373 -0.376 . . . . 12.15 110.297 179.708 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 74' ' ' LEU . . . . . 0.484 ' CD1' ' CB ' ' D' ' 62' ' ' GLN . 12.5 mt -49.56 -37.78 28.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.121 -0.491 . . . . 19.18 111.083 179.964 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' C' C ' 75' ' ' LYS . . . . . 0.423 ' CB ' ' O ' ' C' ' 71' ' ' PHE . 2.9 ttpt -54.71 -68.87 0.15 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.126 0.489 . . . . 21.039999999999999 110.354 179.473 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' C' C ' 76' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.16 -25.11 67.57 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.581 -0.736 . . . . 16.09 111.041 179.798 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -71.67 -65.55 0.74 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.262 -0.426 . . . . 20.190000000000001 110.782 -179.895 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' C' C ' 78' ' ' TYR . . . . . 0.435 ' CD1' ' CD1' ' B' ' 77' ' ' LEU . 19.0 m-85 -52.66 -32.36 41.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.428 -0.351 . . . . 25.829999999999998 110.586 179.777 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 14.8 ttmt -58.59 -35.24 72.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 27.440000000000001 110.61 179.635 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 7.9 ttpt -70.03 -28.93 65.88 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.21 -0.45 . . . . 30.359999999999999 110.894 179.79 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 116.12 -0.491 . . . . 34.700000000000003 110.965 179.873 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.767 0.318 . . . . 34.909999999999997 110.866 . . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' D' D ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.18 -44.45 95.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.23 -0.441 . . . . 34.759999999999998 110.883 179.959 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.25 -48.99 71.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 31.670000000000002 110.739 179.729 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' D' D ' 57' ' ' ARG . . . . . . . . . . . . . 78.9 mtt180 -57.4 -34.01 68.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.125 -0.489 . . . . 26.859999999999999 110.818 179.927 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' D' D ' 58' ' ' LEU . . . . . . . . . . . . . 17.4 mt -67.79 -59.8 3.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.101 -0.5 . . . . 19.68 110.919 -179.923 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' D' D ' 59' ' ' ALA . . . . . . . . . . . . . . . -45.97 -34.79 4.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.994 -0.548 . . . . 18.16 111.068 179.901 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' D' D ' 60' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -62.44 -48.5 79.39 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.051 -0.522 . . . . 22.670000000000002 110.601 179.792 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' D' D ' 61' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -61.87 -33.35 74.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 16.960000000000001 110.604 179.647 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' D' D ' 62' ' ' GLN . . . . . 0.484 ' CB ' ' CD1' ' C' ' 74' ' ' LEU . 5.4 mm-40 -72.23 -49.01 38.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.042 -0.526 . . . . 15.710000000000001 110.697 179.654 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' D' D ' 63' ' ' SER . . . . . . . . . . . . . 1.3 m -52.4 -60.04 3.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.187 -0.461 . . . . 14.26 110.689 179.979 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' D' D ' 64' ' ' GLU . . . . . . . . . . . . . 26.4 pt-20 -51.06 -35.46 34.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 8.8100000000000005 110.802 179.81 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' D' D ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.28 -41.36 81.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.055 -0.521 . . . . 7.2000000000000002 110.72 179.75 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' D' D ' 66' ' ' VAL . . . . . . . . . . . . . 18.5 t -64.48 -35.33 74.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.256 -0.429 . . . . 8.4299999999999997 111.133 179.887 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' D' D ' 67' ' ' LYS . . . . . . . . . . . . . 11.9 tttt -63.33 -53.25 55.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 18.050000000000001 110.94 -179.939 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' D' D ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.15 -30.41 64.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.356 -0.384 . . . . 18.600000000000001 110.626 179.926 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' D' D ' 69' ' ' MET . . . . . . . . . . . . . 50.9 ttp -72.05 -53.95 11.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.059 -0.519 . . . . 12.85 110.835 179.865 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' D' D ' 70' ' ' VAL . . . . . . . . . . . . . 62.1 t -74.7 -20.36 16.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.283 -0.417 . . . . 15.35 111.235 179.965 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 21.7 t80 -65.29 -49.3 70.03 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.907 0.384 . . . . 26.399999999999999 110.621 179.667 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -65.14 -41.09 95.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.135 -0.484 . . . . 28.800000000000001 110.71 179.784 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' D' D ' 73' ' ' THR . . . . . . . . . . . . . 96.2 m -58.29 -58.57 7.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.042 -0.526 . . . . 21.530000000000001 110.813 179.801 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' D' D ' 74' ' ' LEU . . . . . . . . . . . . . 30.2 mt -51.51 -42.07 61.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.479 . . . . 21.129999999999999 110.932 -180.0 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' D' D ' 75' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -50.54 -48.4 57.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.264 -0.426 . . . . 27.390000000000001 110.706 179.915 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' D' D ' 76' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.7 -32.03 67.39 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.975 -0.557 . . . . 31.07 110.643 179.8 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' D' D ' 77' ' ' LEU . . . . . 0.409 ' CD1' ' CD1' ' A' ' 78' ' ' TYR . 20.6 mt -58.54 -39.68 80.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.044 -0.525 . . . . 30.600000000000001 110.719 179.873 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' D' D ' 78' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 -84.91 -42.79 14.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.099 -0.5 . . . . 33.640000000000001 110.672 179.849 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' D' D ' 79' ' ' LYS . . . . . . . . . . . . . 31.8 ttpt . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.022 -0.535 . . . . 40.82 110.947 179.995 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 14.8 ptt180 . . . . . 0 N--CA 1.487 1.416 0 CA-C-O 120.856 0.36 . . . . 43.020000000000003 111.225 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -147.07 86.18 1.63 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.222 -0.444 . . . . 40.520000000000003 110.927 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.421 ' O ' ' CB ' ' A' ' 58' ' ' LEU . 0.7 OUTLIER -69.08 -32.59 72.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 37.539999999999999 110.911 -179.951 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.421 ' HB3' ' CB ' ' B' ' 78' ' ' TYR . . . -63.62 -35.77 81.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.346 -0.388 . . . . 34.229999999999997 110.668 179.719 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -64.05 -55.25 23.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.042 -0.526 . . . . 30.039999999999999 110.598 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.58 -43.72 75.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.901 -0.591 . . . . 35.799999999999997 110.339 179.522 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.432 HD12 ' CZ ' ' B' ' 78' ' ' TYR . 2.1 tm? -60.09 -46.82 88.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.817 -0.629 . . . . 26.190000000000001 110.687 179.622 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.25 -39.0 74.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.102 -0.499 . . . . 20.399999999999999 111.021 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -57.51 -41.34 80.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.491 . . . . 21.309999999999999 110.811 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.3 -63.46 1.3 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.49 . . . . 22.18 110.945 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 9.4 mp0 -50.24 -45.52 54.14 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.984 -0.553 . . . . 25.870000000000001 110.876 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 55.5 p -60.03 -40.73 90.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 17.870000000000001 110.745 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.39 -27.47 67.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.305 -0.407 . . . . 25.629999999999999 110.735 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 83.8 mt -71.96 -36.56 69.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.276 -0.42 . . . . 18.359999999999999 110.424 179.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 60.4 t -74.66 -44.17 46.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.931 -0.577 . . . . 16.449999999999999 111.159 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 14.3 ptmt -58.9 -41.54 87.45 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.87 0.367 . . . . 14.460000000000001 110.587 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.55 -40.59 93.02 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.138 -0.483 . . . . 12.65 110.213 179.488 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 12.1 tmm? -62.88 -47.03 85.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.874 -0.603 . . . . 9.2599999999999998 110.414 179.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 56.1 t -59.47 -39.66 79.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.158 -0.474 . . . . 9.9600000000000009 110.5 179.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.481 ' CE2' ' HE2' ' A' ' 75' ' ' LYS . 24.8 t80 -53.07 -57.37 10.62 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.19 -0.459 . . . . 13.800000000000001 110.187 179.529 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 38.8 m-20 -52.8 -50.86 62.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.145 -0.48 . . . . 11.41 110.739 179.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.6 m -59.85 -69.62 0.2 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.293 -0.412 . . . . 12.380000000000001 110.342 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.478 ' CD1' ' CB ' ' B' ' 62' ' ' GLN . 13.0 mt -49.67 -36.8 26.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 15.390000000000001 111.259 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.481 ' HE2' ' CE2' ' A' ' 71' ' ' PHE . 7.4 ttpt -53.62 -69.34 0.12 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.025 0.44 . . . . 13.529999999999999 110.284 179.657 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -61.26 -32.25 72.06 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.741 -0.663 . . . . 16.800000000000001 111.169 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.2 tp -67.24 -41.32 85.85 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.475 -0.33 . . . . 21.199999999999999 110.766 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.461 ' CZ ' HG23 ' D' ' 73' ' ' THR . 16.6 m-30 -75.0 -18.61 60.34 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.275 -0.421 . . . . 25.890000000000001 110.804 179.494 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.44 -32.11 58.25 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.436 -0.347 . . . . 26.68 110.65 179.534 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 2.3 ttpp -58.4 -30.82 67.13 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.389 -0.369 . . . . 27.48 110.891 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 44.4 p -77.16 -53.98 7.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.235 -0.439 . . . . 34.630000000000003 110.775 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.4 t . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.214 -0.898 . . . . 37.920000000000002 110.825 179.983 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.796 0.332 . . . . 48.32 111.168 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' ASN . . . . . 0.428 ' ND2' ' HB3' ' B' ' 55' ' ' ALA . 0.2 OUTLIER 177.73 175.37 0.47 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.253 -0.43 . . . . 40.18 110.994 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -53.27 -31.15 42.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 34.640000000000001 111.156 -179.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' ALA . . . . . 0.428 ' HB3' ' ND2' ' B' ' 53' ' ' ASN . . . -55.4 -33.34 63.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.425 . . . . 32.32 111.109 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -76.74 -58.5 3.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 32.240000000000002 110.894 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 46.9 mtp85 -50.89 -29.16 11.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 28.010000000000002 110.657 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . 0.413 ' HB3' ' CE2' ' A' ' 78' ' ' TYR . 20.1 mt -70.59 -62.72 1.28 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.116 -0.493 . . . . 22.75 110.438 179.536 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -45.78 -29.3 1.27 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.832 -0.622 . . . . 20.739999999999998 111.148 179.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -71.49 -43.58 66.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.035 -0.529 . . . . 16.870000000000001 110.572 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -65.51 -32.14 73.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.491 . . . . 12.199999999999999 110.685 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . 0.478 ' CB ' ' CD1' ' A' ' 74' ' ' LEU . 3.4 mm-40 -72.55 -47.15 50.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 11.630000000000001 110.599 179.818 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.81 -61.25 2.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.259 -0.428 . . . . 17.210000000000001 110.566 179.752 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -50.58 -39.23 49.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.992 0.425 . . . . 17.32 110.5 179.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.01 -46.87 79.56 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.969 -0.56 . . . . 11.06 110.574 179.634 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 25.6 t -68.95 -33.56 59.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.217 -0.447 . . . . 9.1899999999999995 110.831 179.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.58 -59.19 5.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.087 -0.506 . . . . 16.84 110.687 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 8.5 mttt -53.02 -32.88 49.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.268 -0.424 . . . . 10.17 110.734 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 69' ' ' MET . . . . . 0.428 ' CE ' ' HB3' ' D' ' 62' ' ' GLN . 29.0 ttp -70.56 -51.13 30.56 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.058 -0.519 . . . . 10.9 110.804 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 61.8 t -72.39 -25.28 22.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.132 -0.486 . . . . 10.960000000000001 111.066 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 14.8 t80 -60.5 -48.05 83.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 18.079999999999998 110.777 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -66.01 -41.78 90.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.068 -0.514 . . . . 24.02 110.728 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 73' ' ' THR . . . . . 0.479 HG23 ' CZ ' ' C' ' 78' ' ' TYR . 73.8 m -52.47 -58.3 7.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.105 -0.498 . . . . 22.469999999999999 110.772 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 86.6 mt -50.68 -38.8 48.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 26.890000000000001 110.847 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 2.2 ttpt -53.65 -51.3 63.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.983 0.421 . . . . 30.84 110.49 179.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -68.58 -35.48 77.43 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.902 -0.59 . . . . 28.829999999999998 110.677 179.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 17.2 mt -55.64 -45.21 77.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.112 -0.495 . . . . 28.18 110.825 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 78' ' ' TYR . . . . . 0.432 ' CZ ' HD12 ' A' ' 58' ' ' LEU . 11.7 m-85 -78.78 -30.25 45.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.079 -0.51 . . . . 34.530000000000001 110.689 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.65 -43.05 62.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.083 -0.508 . . . . 43.200000000000003 110.781 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.42 -33.04 71.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.977 -0.556 . . . . 42.200000000000003 110.977 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 1.3 t -150.93 100.91 2.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 40.350000000000001 111.075 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.263 -0.875 . . . . 48.82 110.862 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 52' ' ' ARG . . . . . . . . . . . . . 14.7 ptt180 . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.782 0.325 . . . . 46.520000000000003 111.304 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 53' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -146.83 86.16 1.65 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 36.030000000000001 110.885 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 54' ' ' ASP . . . . . 0.418 ' O ' ' CB ' ' C' ' 58' ' ' LEU . 0.8 OUTLIER -69.05 -32.6 72.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 38.869999999999997 110.952 179.913 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' C' C ' 55' ' ' ALA . . . . . 0.404 ' HB3' ' CB ' ' D' ' 78' ' ' TYR . . . -63.61 -35.67 81.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.287 -0.415 . . . . 30.550000000000001 110.627 179.742 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -64.25 -55.23 22.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.106 -0.497 . . . . 28.239999999999998 110.549 179.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.5 -43.61 76.46 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.976 -0.556 . . . . 28.98 110.342 179.548 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 58' ' ' LEU . . . . . 0.418 ' CB ' ' O ' ' C' ' 54' ' ' ASP . 2.1 tm? -60.33 -46.66 89.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.802 -0.636 . . . . 30.010000000000002 110.669 179.661 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.18 -39.3 75.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 26.210000000000001 110.964 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -57.29 -41.37 79.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.128 -0.487 . . . . 25.469999999999999 110.787 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.36 -63.42 1.31 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 25.41 110.918 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 9.3 mp0 -50.07 -45.85 52.78 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.063 -0.517 . . . . 19.949999999999999 110.827 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 63' ' ' SER . . . . . . . . . . . . . 57.2 p -59.73 -40.66 88.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.105 -0.498 . . . . 16.460000000000001 110.814 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.55 -27.26 67.61 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.198 -0.455 . . . . 18.219999999999999 110.77 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 65' ' ' LEU . . . . . . . . . . . . . 83.8 mt -72.18 -36.44 69.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 19.539999999999999 110.398 179.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 66' ' ' VAL . . . . . . . . . . . . . 60.4 t -74.75 -44.15 46.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.913 -0.585 . . . . 11.539999999999999 111.084 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 67' ' ' LYS . . . . . . . . . . . . . 14.2 ptmt -58.92 -41.63 87.75 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.319 -0.401 . . . . 16.309999999999999 110.55 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.58 -40.49 92.79 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.175 -0.466 . . . . 21.41 110.254 179.511 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 69' ' ' MET . . . . . . . . . . . . . 12.1 tmm? -63.02 -46.64 86.67 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.871 -0.604 . . . . 9.9000000000000004 110.49 179.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 56.1 t -59.81 -39.78 80.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.214 -0.448 . . . . 7.1699999999999999 110.445 179.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 71' ' ' PHE . . . . . 0.473 ' CE2' ' HE2' ' C' ' 75' ' ' LYS . 24.9 t80 -52.7 -57.6 9.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 19.829999999999998 110.255 179.455 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 38.4 m-20 -52.73 -50.92 62.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.1 -0.5 . . . . 11.949999999999999 110.679 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 73' ' ' THR . . . . . . . . . . . . . 18.4 m -59.82 -69.25 0.22 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.349 -0.387 . . . . 10.619999999999999 110.332 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 74' ' ' LEU . . . . . 0.472 ' CD1' ' CB ' ' D' ' 62' ' ' GLN . 12.8 mt -50.08 -36.49 29.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 18.59 111.134 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 75' ' ' LYS . . . . . 0.473 ' HE2' ' CE2' ' C' ' 71' ' ' PHE . 7.3 ttpt -53.94 -69.52 0.12 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.048 0.451 . . . . 21.050000000000001 110.335 179.629 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 76' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -60.92 -32.34 71.84 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.713 -0.676 . . . . 16.629999999999999 111.077 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 2.2 tp -67.23 -41.39 85.77 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.463 -0.335 . . . . 20.350000000000001 110.807 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 78' ' ' TYR . . . . . 0.479 ' CZ ' HG23 ' B' ' 73' ' ' THR . 16.7 m-30 -75.02 -18.39 60.35 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.349 -0.387 . . . . 26.469999999999999 110.803 179.542 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.57 -32.18 58.0 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.418 -0.355 . . . . 27.07 110.593 179.593 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 2.3 ttpp -58.54 -30.64 67.27 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.344 -0.389 . . . . 30.870000000000001 110.834 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 81' ' ' THR . . . . . . . . . . . . . 44.6 p -77.37 -53.89 7.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.939 0.4 . . . . 34.530000000000001 110.785 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 82' ' ' THR . . . . . . . . . . . . . 1.4 t . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.332 -0.842 . . . . 40.57 110.823 179.871 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 52' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.71 0.29 . . . . 49.729999999999997 111.188 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 53' ' ' ASN . . . . . 0.436 ' ND2' ' HB3' ' D' ' 55' ' ' ALA . 0.2 OUTLIER 177.82 175.48 0.48 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.316 -0.402 . . . . 40.530000000000001 110.994 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -53.39 -30.93 42.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.085 -0.507 . . . . 34.530000000000001 111.152 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 55' ' ' ALA . . . . . 0.436 ' HB3' ' ND2' ' D' ' 53' ' ' ASN . . . -55.67 -33.26 63.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 33.969999999999999 111.086 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -76.79 -58.31 3.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 31.600000000000001 110.861 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 57' ' ' ARG . . . . . . . . . . . . . 46.9 mtp85 -51.17 -29.06 12.7 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.272 -0.422 . . . . 23.859999999999999 110.621 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 58' ' ' LEU . . . . . 0.401 ' HB3' ' CE2' ' C' ' 78' ' ' TYR . 20.2 mt -70.63 -62.75 1.27 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.104 -0.498 . . . . 19.809999999999999 110.488 179.537 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 59' ' ' ALA . . . . . . . . . . . . . . . -45.65 -29.41 1.23 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.791 -0.64 . . . . 19.149999999999999 111.168 179.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 60' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -71.48 -43.68 66.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.945 -0.571 . . . . 24.010000000000002 110.574 179.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 61' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -65.52 -31.96 73.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 17.399999999999999 110.68 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 62' ' ' GLN . . . . . 0.472 ' CB ' ' CD1' ' C' ' 74' ' ' LEU . 3.5 mm-40 -72.61 -47.18 49.9 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.234 -0.439 . . . . 15.48 110.619 179.796 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 63' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.72 -61.11 2.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.294 -0.412 . . . . 14.779999999999999 110.587 179.713 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 64' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -50.7 -39.45 51.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.446 . . . . 8.75 110.497 179.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.78 -46.98 79.79 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.837 -0.62 . . . . 6.6900000000000004 110.538 179.629 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 66' ' ' VAL . . . . . . . . . . . . . 25.4 t -69.0 -33.11 57.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.239 -0.437 . . . . 7.4000000000000004 110.917 179.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 67' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.05 -58.51 7.56 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.127 -0.488 . . . . 12.859999999999999 110.784 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 68' ' ' LYS . . . . . . . . . . . . . 8.5 mttt -53.61 -32.98 53.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 20.91 110.674 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 69' ' ' MET . . . . . 0.424 ' CE ' ' HB3' ' B' ' 62' ' ' GLN . 29.1 ttp -70.14 -51.54 30.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.992 -0.549 . . . . 12.99 110.827 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 70' ' ' VAL . . . . . . . . . . . . . 62.3 t -72.2 -25.13 23.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.031 -0.532 . . . . 15.25 111.073 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 14.5 t80 -60.64 -48.03 83.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 25.960000000000001 110.717 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -65.9 -41.77 91.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 28.780000000000001 110.78 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 73' ' ' THR . . . . . 0.461 HG23 ' CZ ' ' A' ' 78' ' ' TYR . 76.4 m -52.5 -58.29 7.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 22.34 110.767 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 74' ' ' LEU . . . . . . . . . . . . . 85.6 mt -50.6 -39.03 48.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.489 . . . . 20.760000000000002 110.845 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 75' ' ' LYS . . . . . . . . . . . . . 2.1 ttpt -53.57 -51.02 64.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 25.870000000000001 110.519 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 76' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -68.83 -35.51 77.05 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.904 -0.589 . . . . 30.829999999999998 110.655 179.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 77' ' ' LEU . . . . . . . . . . . . . 17.3 mt -55.64 -45.28 77.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.043 -0.526 . . . . 30.149999999999999 110.826 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 78' ' ' TYR . . . . . 0.418 ' CZ ' HD12 ' C' ' 58' ' ' LEU . 11.8 m-85 -78.82 -30.04 45.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.024 -0.535 . . . . 32.490000000000002 110.664 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.88 -43.1 63.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.068 -0.515 . . . . 41.479999999999997 110.705 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.25 -33.35 72.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.088 -0.505 . . . . 39.560000000000002 110.928 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 81' ' ' THR . . . . . . . . . . . . . 1.2 t -150.64 100.95 2.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.459 . . . . 40.579999999999998 111.028 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 82' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.248 -0.882 . . . . 45.990000000000002 110.838 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 62.7 ttt-85 . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.794 0.33 . . . . 48.799999999999997 111.215 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 14.1 t30 -95.36 54.58 1.63 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.17 -0.468 . . . . 43.719999999999999 111.07 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -58.53 -23.77 59.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 41.950000000000003 110.891 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.63 -41.81 98.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.376 -0.375 . . . . 36.609999999999999 110.792 179.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -65.96 -52.9 45.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 31.640000000000001 110.529 179.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 24.8 mtm180 -62.07 -44.7 96.1 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.941 -0.572 . . . . 39.799999999999997 110.341 179.39 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 14.9 mt -55.7 -53.32 58.08 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.883 -0.599 . . . . 30.91 110.663 179.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -50.18 -32.34 16.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 21.399999999999999 110.908 179.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -81.19 -29.45 34.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.478 . . . . 18.75 110.617 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -77.46 -49.09 15.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.086 -0.506 . . . . 21.969999999999999 110.629 179.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 54.8 mm-40 -63.16 -39.49 94.82 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.847 -0.615 . . . . 23.780000000000001 110.462 179.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 55.6 p -66.6 -36.37 82.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.031 -0.532 . . . . 19.370000000000001 110.39 179.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -57.27 -43.97 83.56 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.08 -0.509 . . . . 26.539999999999999 110.446 179.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.5 mt -59.5 -41.13 89.17 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.076 -0.511 . . . . 20.02 110.31 179.558 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 61.7 t -69.49 -49.57 58.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.974 -0.557 . . . . 16.219999999999999 110.733 179.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.9 tttt -61.32 -41.39 96.94 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.236 -0.438 . . . . 9.2200000000000006 110.35 179.533 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 32.7 ttpt -64.8 -36.66 85.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.033 -0.53 . . . . 15.880000000000001 110.364 179.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 24.0 ttp -65.53 -39.58 91.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.992 -0.549 . . . . 10.119999999999999 110.502 179.663 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 70.3 t -68.1 -45.28 83.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.084 -0.507 . . . . 11.460000000000001 110.826 179.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.427 ' O ' ' CB ' ' A' ' 75' ' ' LYS . 73.3 t80 -51.15 -62.79 1.4 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.493 -0.321 . . . . 18.210000000000001 110.429 179.808 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -50.55 -39.09 48.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.281 -0.418 . . . . 12.9 110.537 179.558 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.6 m -68.39 -73.81 0.14 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.065 -0.516 . . . . 9.9499999999999993 110.358 179.601 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.474 ' CD1' ' CB ' ' B' ' 62' ' ' GLN . 19.0 mt -49.04 -34.54 13.67 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.061 -0.518 . . . . 14.619999999999999 111.045 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.427 ' CB ' ' O ' ' A' ' 71' ' ' PHE . 6.9 tttt -54.58 -68.9 0.15 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.031 -0.532 . . . . 15.65 110.071 179.369 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -63.49 -29.56 70.82 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.592 -0.731 . . . . 18.539999999999999 110.883 179.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.409 ' HB3' ' HA ' ' A' ' 74' ' ' LEU . 0.6 OUTLIER -65.96 -65.65 0.65 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.273 -0.421 . . . . 21.539999999999999 110.586 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 22.6 m-30 -53.92 -27.06 28.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.419 -0.355 . . . . 28.530000000000001 110.855 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 12.7 mttt -67.69 -31.18 70.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 26.109999999999999 110.957 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -75.03 -27.81 60.22 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.148 -0.478 . . . . 29.52 110.957 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.8 -62.21 1.48 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.031 -0.532 . . . . 34.789999999999999 111.092 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.2 p . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.253 -0.88 . . . . 40.240000000000002 110.989 -179.794 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.783 0.325 . . . . 44.329999999999998 111.083 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -128.47 24.77 5.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.282 -0.417 . . . . 38.909999999999997 111.096 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -70.77 -22.05 62.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.171 -0.468 . . . . 33.18 111.068 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.55 -46.98 77.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.83 0.348 . . . . 30.23 110.936 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -62.1 -53.13 59.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 33.039999999999999 110.61 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.25 -36.53 61.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 26.649999999999999 110.762 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 4.5 mt -63.99 -58.72 5.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.974 -0.557 . . . . 22.469999999999999 110.883 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 59' ' ' ALA . . . . . 0.401 ' O ' ' OG ' ' B' ' 63' ' ' SER . . . -46.5 -37.14 7.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.908 -0.587 . . . . 22.079999999999998 110.875 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -58.96 -48.33 81.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.939 -0.573 . . . . 21.149999999999999 110.683 179.64 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -60.59 -36.51 78.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 14.550000000000001 110.273 179.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . 0.474 ' CB ' ' CD1' ' A' ' 74' ' ' LEU . 7.9 mm-40 -68.39 -51.75 40.61 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.892 -0.594 . . . . 11.09 110.432 179.486 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 63' ' ' SER . . . . . 0.401 ' OG ' ' O ' ' B' ' 59' ' ' ALA . 0.0 OUTLIER -50.2 -65.3 0.58 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.022 -0.535 . . . . 16.59 110.953 -179.862 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -46.91 -32.61 3.93 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.867 0.365 . . . . 16.260000000000002 111.004 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.32 -41.29 81.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.049 -0.523 . . . . 11.279999999999999 110.674 179.525 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 36.4 t -66.61 -38.28 81.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.102 -0.499 . . . . 8.5800000000000001 111.261 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . 0.4 ' O ' ' N ' ' B' ' 71' ' ' PHE . 2.3 tttt -58.09 -51.86 67.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 11.76 111.139 -179.841 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 77.3 tttt -58.78 -32.15 69.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.409 -0.36 . . . . 12.24 110.911 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 69' ' ' MET . . . . . 0.424 ' CE ' ' HB3' ' D' ' 62' ' ' GLN . 23.1 ttp -71.37 -49.61 40.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 11.17 110.85 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 53.1 t -76.94 -24.36 15.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.121 -0.491 . . . . 11.51 111.105 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.4 ' N ' ' O ' ' B' ' 67' ' ' LYS . 32.2 t80 -60.68 -52.08 66.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.255 -0.429 . . . . 17.48 110.647 179.771 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.27 -40.28 93.72 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.153 -0.476 . . . . 24.809999999999999 110.587 179.661 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 73' ' ' THR . . . . . 0.437 HG22 ' CZ ' ' C' ' 78' ' ' TYR . 60.3 m -55.82 -55.23 34.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 24.469999999999999 110.684 179.683 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 13.6 mt -58.1 -42.01 84.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.164 -0.471 . . . . 26.399999999999999 110.882 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 3.4 ttpt -49.61 -41.41 42.14 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.255 -0.43 . . . . 26.859999999999999 110.628 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -77.71 -31.46 52.32 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.937 -0.574 . . . . 27.559999999999999 110.481 179.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 18.4 mt -63.87 -41.6 97.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.981 -0.554 . . . . 28.629999999999999 110.843 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -84.16 -39.33 19.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 32.859999999999999 110.87 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 11.2 tttm -53.01 -47.04 68.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.022 -0.535 . . . . 43.659999999999997 110.891 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.5 -56.89 7.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 40.689999999999998 110.763 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 46.7 p -71.14 62.16 0.31 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 39.340000000000003 111.043 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.262 -0.875 . . . . 48.479999999999997 110.891 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 52' ' ' ARG . . . . . . . . . . . . . 62.8 ttt-85 . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.828 0.347 . . . . 48.530000000000001 111.202 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 53' ' ' ASN . . . . . . . . . . . . . 14.3 t30 -95.44 54.52 1.61 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.458 . . . . 37.380000000000003 111.038 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -58.34 -23.83 57.87 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.224 -0.444 . . . . 36.859999999999999 110.965 179.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.52 -42.26 98.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.321 -0.4 . . . . 30.890000000000001 110.722 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -65.58 -52.86 48.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 28.210000000000001 110.492 179.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 57' ' ' ARG . . . . . . . . . . . . . 24.6 mtm180 -62.27 -44.64 96.07 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.939 -0.573 . . . . 26.16 110.315 179.539 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 15.1 mt -55.67 -53.48 56.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.843 -0.617 . . . . 27.420000000000002 110.598 179.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -50.0 -32.42 15.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 24.809999999999999 110.878 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -81.18 -29.29 34.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 26.780000000000001 110.673 179.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -77.71 -48.98 15.4 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.06 -0.518 . . . . 27.57 110.641 179.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 54.6 mm-40 -63.21 -39.55 94.95 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.83 -0.623 . . . . 20.859999999999999 110.491 179.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 63' ' ' SER . . . . . . . . . . . . . 55.6 p -66.38 -36.72 83.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.036 -0.529 . . . . 16.43 110.347 179.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -56.98 -44.28 82.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.077 -0.51 . . . . 18.460000000000001 110.474 179.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 65' ' ' LEU . . . . . . . . . . . . . 1.5 mt -59.19 -41.07 87.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.079 -0.51 . . . . 17.469999999999999 110.305 179.534 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 66' ' ' VAL . . . . . . . . . . . . . 61.9 t -69.72 -49.45 57.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.02 -0.537 . . . . 10.32 110.735 179.617 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 67' ' ' LYS . . . . . 0.414 ' CG ' ' HB2' ' D' ' 63' ' ' SER . 13.9 tttt -61.37 -41.34 96.93 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.193 -0.458 . . . . 19.489999999999998 110.291 179.556 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 68' ' ' LYS . . . . . . . . . . . . . 32.7 ttpt -64.77 -36.87 85.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.048 -0.524 . . . . 22.039999999999999 110.375 179.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 69' ' ' MET . . . . . . . . . . . . . 23.7 ttp -65.37 -39.42 92.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.038 -0.528 . . . . 8.1699999999999999 110.477 179.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 63.2 t -68.32 -45.07 83.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.082 -0.508 . . . . 5.7699999999999996 110.784 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 71' ' ' PHE . . . . . 0.433 ' O ' ' CB ' ' C' ' 75' ' ' LYS . 73.7 t80 -51.45 -62.65 1.49 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.444 -0.344 . . . . 14.970000000000001 110.538 179.707 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -50.74 -39.03 50.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 8.8900000000000006 110.566 179.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 73' ' ' THR . . . . . . . . . . . . . 18.9 m -68.47 -73.94 0.13 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.957 -0.565 . . . . 13.18 110.32 179.574 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 74' ' ' LEU . . . . . 0.425 ' CD1' ' CB ' ' D' ' 62' ' ' GLN . 19.1 mt -48.72 -34.83 12.77 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.188 -0.46 . . . . 19.640000000000001 111.023 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 75' ' ' LYS . . . . . 0.433 ' CB ' ' O ' ' C' ' 71' ' ' PHE . 6.9 tttt -54.4 -68.91 0.15 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.029 -0.532 . . . . 22.34 110.169 179.341 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 76' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -63.62 -29.44 70.68 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.681 -0.69 . . . . 14.52 110.826 179.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 77' ' ' LEU . . . . . 0.411 ' HB3' ' HA ' ' C' ' 74' ' ' LEU . 0.6 OUTLIER -66.04 -65.65 0.65 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.295 -0.411 . . . . 20.41 110.586 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' C' C ' 78' ' ' TYR . . . . . 0.437 ' CZ ' HG22 ' B' ' 73' ' ' THR . 22.7 m-30 -53.93 -27.26 29.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.38 -0.373 . . . . 25.07 110.767 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 12.7 mttt -67.41 -31.43 71.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 27.550000000000001 110.936 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -74.87 -27.77 60.39 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.201 -0.454 . . . . 28.82 110.975 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.95 -61.83 1.63 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.148 -0.478 . . . . 33.460000000000001 111.172 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 82' ' ' THR . . . . . . . . . . . . . 1.2 p . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.242 -0.885 . . . . 41.399999999999999 110.922 -179.87 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.779 0.323 . . . . 45.829999999999998 111.273 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -128.56 24.87 5.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 41.960000000000001 111.077 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -70.86 -22.08 62.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 35.859999999999999 111.04 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.45 -47.07 76.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.828 0.346 . . . . 34.960000000000001 110.977 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -62.09 -53.01 61.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 31.379999999999999 110.707 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 57' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.18 -36.62 61.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.49 . . . . 24.940000000000001 110.74 179.651 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 58' ' ' LEU . . . . . . . . . . . . . 4.7 mt -63.99 -58.41 6.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.043 -0.526 . . . . 20.620000000000001 110.884 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 59' ' ' ALA . . . . . . . . . . . . . . . -47.45 -35.25 8.31 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.974 -0.557 . . . . 17.77 110.939 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 60' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -60.6 -47.45 86.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.007 -0.542 . . . . 23.18 110.462 179.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 61' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -61.48 -36.93 81.83 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.155 -0.475 . . . . 16.219999999999999 110.353 179.523 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 62' ' ' GLN . . . . . 0.425 ' CB ' ' CD1' ' C' ' 74' ' ' LEU . 7.7 mm-40 -67.88 -49.72 60.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.007 -0.542 . . . . 16.190000000000001 110.347 179.415 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 63' ' ' SER . . . . . 0.414 ' HB2' ' CG ' ' C' ' 67' ' ' LYS . 0.2 OUTLIER -50.96 -67.43 0.25 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.885 -0.598 . . . . 14.539999999999999 110.959 179.874 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' D' D ' 64' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -45.77 -32.26 2.43 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.148 -0.478 . . . . 12.17 111.002 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.77 -41.69 78.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 7.3300000000000001 110.547 179.579 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 66' ' ' VAL . . . . . . . . . . . . . 35.0 t -66.44 -38.2 81.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.127 -0.488 . . . . 9.1400000000000006 111.303 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 67' ' ' LYS . . . . . . . . . . . . . 2.4 tttt -58.14 -51.88 67.88 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.235 -0.439 . . . . 20.210000000000001 111.051 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 68' ' ' LYS . . . . . . . . . . . . . 77.2 tttt -58.71 -32.12 68.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.37 -0.377 . . . . 18.559999999999999 110.84 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 69' ' ' MET . . . . . 0.402 ' CE ' ' HB3' ' B' ' 62' ' ' GLN . 21.8 ttp -71.37 -49.61 40.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 12.890000000000001 110.949 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 70' ' ' VAL . . . . . . . . . . . . . 51.8 t -76.92 -24.46 15.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 15.52 111.032 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -60.6 -52.17 66.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.268 -0.424 . . . . 26.059999999999999 110.652 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.17 -40.33 94.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 28.780000000000001 110.586 179.677 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 73' ' ' THR . . . . . . . . . . . . . 62.4 m -55.95 -55.21 35.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 20.829999999999998 110.701 179.684 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 74' ' ' LEU . . . . . . . . . . . . . 13.5 mt -58.1 -42.0 84.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.489 . . . . 22.02 110.899 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 75' ' ' LYS . . . . . . . . . . . . . 3.4 ttpt -49.57 -41.29 41.24 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.96 0.41 . . . . 28.859999999999999 110.658 179.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 76' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -77.92 -31.43 51.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.999 -0.546 . . . . 31.34 110.549 179.627 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 77' ' ' LEU . . . . . . . . . . . . . 18.6 mt -63.75 -41.43 98.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.921 -0.581 . . . . 30.789999999999999 110.832 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 78' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -84.46 -39.41 18.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.112 -0.494 . . . . 33.719999999999999 110.778 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 79' ' ' LYS . . . . . . . . . . . . . 11.3 tttm -52.85 -47.36 67.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 40.369999999999997 110.907 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.14 -56.92 7.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 45.640000000000001 110.75 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 81' ' ' THR . . . . . . . . . . . . . 45.1 p -71.14 62.11 0.31 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.215 -0.448 . . . . 41.549999999999997 111.093 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 82' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.282 -0.866 . . . . 49.5 110.886 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.822 0.344 . . . . 49.640000000000001 111.232 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -72.66 91.38 1.44 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 42.020000000000003 110.923 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -73.69 -34.78 65.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.295 -0.411 . . . . 42.359999999999999 110.787 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.71 -41.36 90.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.278 -0.419 . . . . 35.729999999999997 110.794 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -68.04 -54.08 21.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.484 . . . . 31.309999999999999 110.578 179.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 46.2 ttp180 -60.94 -41.37 96.1 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.995 -0.548 . . . . 37.420000000000002 110.415 179.591 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 15.0 mt -58.95 -50.78 72.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.846 -0.615 . . . . 33.149999999999999 110.601 179.667 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.59 -32.87 30.34 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.109 -0.496 . . . . 23.52 110.875 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 30.3 t0 -76.36 -29.74 57.32 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.029 -0.532 . . . . 21.34 110.596 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -73.54 -51.79 15.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.067 -0.515 . . . . 21.350000000000001 110.612 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 30.8 mm-40 -54.85 -50.17 69.29 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.937 -0.574 . . . . 21.239999999999998 110.579 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 48.1 p -56.59 -41.59 77.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 18.68 110.525 179.661 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -60.02 -33.93 72.67 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.063 -0.517 . . . . 24.289999999999999 110.546 179.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 8.6 mt -68.96 -29.13 67.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.098 -0.501 . . . . 22.23 110.028 179.42 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 58.6 t -80.67 -46.45 21.22 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.283 0 CA-C-N 115.768 -0.651 . . . . 14.74 110.86 179.613 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.4 ptmt -59.86 -46.05 90.52 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.267 -0.424 . . . . 7.8499999999999996 110.38 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 16.4 ttpp -61.26 -38.39 86.52 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.061 -0.518 . . . . 18.239999999999998 110.317 179.504 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 24.7 ttp -64.82 -42.29 95.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.958 -0.565 . . . . 10.81 110.388 179.48 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 70.0 t -70.04 -42.17 79.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.094 -0.503 . . . . 10.18 110.679 179.65 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.418 ' O ' ' CB ' ' A' ' 75' ' ' LYS . 48.5 t80 -52.25 -60.6 3.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 21.460000000000001 110.426 179.753 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.17 -45.71 68.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.224 -0.443 . . . . 14.880000000000001 110.609 179.719 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 17.6 m -61.75 -71.64 0.14 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.187 -0.461 . . . . 8.5999999999999996 110.277 179.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.452 ' CD1' ' CB ' ' B' ' 62' ' ' GLN . 19.8 mt -49.68 -36.84 26.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.979 -0.555 . . . . 15.26 111.105 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.418 ' CB ' ' O ' ' A' ' 71' ' ' PHE . 9.2 ttpp -56.25 -68.04 0.25 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.192 0.52 . . . . 18.030000000000001 110.029 179.187 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -61.98 -29.27 70.14 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.467 -0.788 . . . . 18.98 111.005 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.402 ' HB3' ' HA ' ' A' ' 74' ' ' LEU . 0.7 OUTLIER -66.36 -54.97 18.3 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.43 -0.35 . . . . 21.109999999999999 110.576 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.479 ' CD1' ' CD1' ' D' ' 77' ' ' LEU . 20.9 m-85 -62.68 -21.56 65.82 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.371 -0.377 . . . . 29.699999999999999 110.809 179.562 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.61 -31.33 68.26 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.279 -0.419 . . . . 26.07 110.523 179.712 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 4.2 ttmt -66.79 -26.89 67.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.115 -0.493 . . . . 30.850000000000001 110.968 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.5 p -82.04 -64.89 1.09 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.322 -0.399 . . . . 34.490000000000002 111.063 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 12.8 t . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.244 -0.884 . . . . 40.810000000000002 110.988 179.951 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 3.3 mtm180 . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.811 0.339 . . . . 46.850000000000001 111.225 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -103.79 21.03 16.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 37.789999999999999 111.113 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -63.62 -25.19 68.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.486 -0.324 . . . . 32.32 110.716 179.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' ALA . . . . . 0.434 ' HB2' ' CB ' ' A' ' 78' ' ' TYR . . . -56.78 -40.79 76.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 29.350000000000001 111.181 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -65.66 -49.37 68.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 33.280000000000001 110.886 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 6.5 mpt_? -51.16 -30.18 15.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 23.66 110.895 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . 0.434 ' O ' ' CG ' ' B' ' 62' ' ' GLN . 13.0 mt -77.37 -65.09 1.0 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 20.440000000000001 111.178 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -45.44 -27.67 0.75 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.997 -0.547 . . . . 21.420000000000002 111.349 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -71.9 -57.58 4.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 22.710000000000001 110.796 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -63.55 -25.54 68.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.316 -0.402 . . . . 14.69 110.795 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . 0.452 ' CB ' ' CD1' ' A' ' 74' ' ' LEU . 2.5 mm-40 -75.24 -39.0 60.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 11.51 110.904 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 2.8 p -69.04 -53.57 19.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.343 -0.389 . . . . 15.9 110.734 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.33 -35.69 51.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.105 -0.498 . . . . 13.66 110.669 179.688 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.13 -42.91 96.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 10.01 110.799 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 60.5 t -63.78 -42.19 95.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.242 -0.435 . . . . 8.1500000000000004 111.122 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . 0.424 ' O ' ' N ' ' B' ' 71' ' ' PHE . 13.0 tttt -54.15 -59.91 4.03 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.985 -0.552 . . . . 7.25 110.902 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 5.9 mttp -52.38 -32.87 40.69 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.206 -0.452 . . . . 15.57 111.074 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 69' ' ' MET . . . . . . . . . . . . . 44.0 ttp -72.76 -51.11 20.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.838 0.351 . . . . 12.220000000000001 110.982 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 64.6 t -75.9 -16.95 15.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 14.33 111.518 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.424 ' N ' ' O ' ' B' ' 67' ' ' LYS . 40.6 t80 -68.3 -54.07 20.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.888 0.375 . . . . 18.34 110.732 179.751 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -61.85 -43.37 98.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.082 -0.508 . . . . 26.550000000000001 110.809 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 73' ' ' THR . . . . . . . . . . . . . 52.5 m -53.96 -48.0 70.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 25.34 111.096 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 24.6 mt -59.69 -39.6 85.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.467 . . . . 25.16 110.845 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 2.0 tptp -50.87 -46.27 60.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.356 -0.384 . . . . 26.039999999999999 110.537 179.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.0 -25.32 60.94 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.904 -0.589 . . . . 27.760000000000002 110.675 179.526 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . 0.508 ' CD1' ' CD1' ' C' ' 78' ' ' TYR . 26.3 mt -72.46 -50.5 25.69 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.029 -0.532 . . . . 29.129999999999999 111.143 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -69.18 -57.53 5.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 31.440000000000001 111.497 -179.536 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -46.39 -31.61 2.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.367 -0.379 . . . . 43.380000000000003 111.22 -179.748 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 5.2 tptt -63.07 -46.73 86.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 38.939999999999998 110.808 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 4.6 p -76.24 59.81 1.42 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.464 . . . . 39.130000000000003 111.033 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 7.4 t . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.253 -0.879 . . . . 48.600000000000001 110.865 -179.991 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 52' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.83 0.347 . . . . 45.82 111.213 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -72.52 91.32 1.39 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 39.689999999999998 110.926 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -73.66 -34.67 65.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 38.369999999999997 110.775 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.9 -41.33 91.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.297 -0.411 . . . . 33.409999999999997 110.802 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -67.92 -54.15 20.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 30.010000000000002 110.606 179.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 57' ' ' ARG . . . . . . . . . . . . . 46.1 ttp180 -61.0 -41.33 96.31 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.98 -0.555 . . . . 31.140000000000001 110.416 179.615 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 15.0 mt -59.02 -50.75 72.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.892 -0.594 . . . . 26.699999999999999 110.58 179.69 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.59 -32.85 30.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.092 -0.504 . . . . 24.190000000000001 110.832 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -76.37 -30.02 57.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 27.73 110.502 179.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -73.29 -51.72 16.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.499 . . . . 27.760000000000002 110.622 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 -54.82 -50.42 68.61 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.989 -0.551 . . . . 23.260000000000002 110.552 179.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 63' ' ' SER . . . . . . . . . . . . . 44.6 p -56.35 -41.39 76.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.482 . . . . 16.719999999999999 110.555 179.683 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -60.31 -33.78 72.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.087 -0.506 . . . . 21.079999999999998 110.485 179.654 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 65' ' ' LEU . . . . . . . . . . . . . 8.5 mt -69.19 -29.03 66.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.078 0.466 . . . . 15.34 110.029 179.423 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 66' ' ' VAL . . . . . . . . . . . . . 58.9 t -80.68 -46.35 21.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.775 -0.648 . . . . 11.85 110.927 179.562 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 67' ' ' LYS . . . . . 0.431 ' HD2' ' CD ' ' D' ' 67' ' ' LYS . 7.6 ptmt -60.0 -45.94 91.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.224 -0.444 . . . . 20.77 110.491 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 68' ' ' LYS . . . . . . . . . . . . . 16.5 ttpp -61.19 -38.37 86.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.03 -0.532 . . . . 17.59 110.239 179.379 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 69' ' ' MET . . . . . . . . . . . . . 24.2 ttp -65.14 -42.07 94.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.994 -0.548 . . . . 7.21 110.414 179.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 61.5 t -70.16 -41.93 79.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.01 -0.541 . . . . 6.7800000000000002 110.665 179.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 71' ' ' PHE . . . . . 0.42 ' O ' ' CB ' ' C' ' 75' ' ' LYS . 48.6 t80 -52.55 -60.8 2.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.246 -0.434 . . . . 9.6400000000000006 110.387 179.625 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.98 -45.73 67.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 9.0800000000000001 110.574 179.697 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 73' ' ' THR . . . . . . . . . . . . . 17.8 m -61.9 -71.25 0.16 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.21 -0.45 . . . . 14.539999999999999 110.323 179.617 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 74' ' ' LEU . . . . . 0.405 ' HB3' ' CE2' ' C' ' 78' ' ' TYR . 20.9 mt -49.88 -37.13 29.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.094 -0.503 . . . . 18.739999999999998 111.086 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 75' ' ' LYS . . . . . 0.42 ' CB ' ' O ' ' C' ' 71' ' ' PHE . 9.2 ttpp -56.07 -68.02 0.24 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.158 0.504 . . . . 20.16 109.975 179.303 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 76' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -61.99 -29.48 70.28 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.493 -0.776 . . . . 14.300000000000001 110.994 179.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.1 -55.08 18.26 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.48 -0.327 . . . . 19.949999999999999 110.541 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 78' ' ' TYR . . . . . 0.508 ' CD1' ' CD1' ' B' ' 77' ' ' LEU . 20.9 m-85 -62.43 -21.92 65.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.393 -0.367 . . . . 24.239999999999998 110.762 179.613 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.37 -31.13 68.25 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.296 -0.411 . . . . 28.809999999999999 110.615 179.66 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 4.2 ttmt -67.12 -26.7 66.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 27.780000000000001 111.014 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 81' ' ' THR . . . . . . . . . . . . . 2.6 p -82.18 -64.84 1.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.306 -0.407 . . . . 33.740000000000002 110.999 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 82' ' ' THR . . . . . . . . . . . . . 12.7 t . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.209 -0.9 . . . . 39.43 110.912 -179.937 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 52' ' ' ARG . . . . . . . . . . . . . 3.2 mtm180 . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.783 0.325 . . . . 46.600000000000001 111.243 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -103.58 20.63 17.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 42.009999999999998 111.138 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -63.22 -25.42 68.32 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.815 0.34 . . . . 35.670000000000002 110.771 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.72 -40.61 75.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 35.310000000000002 111.229 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -65.77 -49.26 68.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 31.760000000000002 110.929 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 57' ' ' ARG . . . . . . . . . . . . . 6.5 mpt_? -50.98 -30.29 14.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.144 -0.48 . . . . 34.140000000000001 110.965 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 58' ' ' LEU . . . . . 0.433 ' O ' ' CG ' ' D' ' 62' ' ' GLN . 12.8 mt -77.53 -65.13 1.0 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 21.059999999999999 111.076 -179.769 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 59' ' ' ALA . . . . . . . . . . . . . . . -45.29 -27.92 0.73 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.063 -0.517 . . . . 17.760000000000002 111.312 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 60' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -71.61 -57.3 4.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.132 -0.486 . . . . 20.859999999999999 110.852 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 61' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -63.94 -25.46 68.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 14.869999999999999 110.819 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 62' ' ' GLN . . . . . 0.433 ' CG ' ' O ' ' D' ' 58' ' ' LEU . 2.5 mm-40 -75.24 -39.08 60.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.491 . . . . 15.57 110.833 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 63' ' ' SER . . . . . . . . . . . . . 2.6 p -69.07 -53.59 19.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.318 -0.401 . . . . 15.98 110.727 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.24 -35.78 50.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 14.050000000000001 110.613 179.736 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 65' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.95 -43.46 95.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.058 -0.519 . . . . 8.0600000000000005 110.802 179.749 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 66' ' ' VAL . . . . . . . . . . . . . 60.1 t -63.26 -42.14 95.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.951 0.405 . . . . 9.0399999999999991 111.179 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 67' ' ' LYS . . . . . 0.431 ' CD ' ' HD2' ' C' ' 67' ' ' LYS . 13.4 tttt -54.12 -60.11 3.76 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.97 -0.559 . . . . 21.68 110.964 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 68' ' ' LYS . . . . . . . . . . . . . 5.9 mttp -52.1 -32.87 37.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.284 -0.416 . . . . 18.010000000000002 111.12 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 69' ' ' MET . . . . . . . . . . . . . 43.9 ttp -72.79 -51.26 19.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.372 -0.376 . . . . 12.539999999999999 110.97 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 70' ' ' VAL . . . . . 0.401 HG21 HD13 ' A' ' 74' ' ' LEU . 61.4 t -75.69 -17.01 15.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 14.65 111.491 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 71' ' ' PHE . . . . . 0.404 ' N ' ' O ' ' D' ' 67' ' ' LYS . 41.3 t80 -68.29 -54.39 17.84 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.896 0.379 . . . . 24.969999999999999 110.691 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -61.75 -43.04 99.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 27.489999999999998 110.8 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 73' ' ' THR . . . . . . . . . . . . . 51.9 m -54.25 -47.84 71.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.202 -0.453 . . . . 20.539999999999999 110.975 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 74' ' ' LEU . . . . . . . . . . . . . 25.0 mt -59.78 -39.42 84.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 23.609999999999999 110.844 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 75' ' ' LYS . . . . . . . . . . . . . 2.0 tptp -51.09 -46.14 61.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.964 0.411 . . . . 31.300000000000001 110.586 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 76' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.11 -25.19 60.77 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.835 -0.62 . . . . 31.34 110.702 179.587 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 77' ' ' LEU . . . . . 0.479 ' CD1' ' CD1' ' A' ' 78' ' ' TYR . 26.8 mt -72.62 -50.64 23.88 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.06 -0.518 . . . . 30.039999999999999 111.169 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 78' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -68.94 -57.55 5.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.104 -0.498 . . . . 33.68 111.37 -179.58 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -46.52 -31.46 2.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.404 -0.362 . . . . 38.140000000000001 111.22 -179.666 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 80' ' ' LYS . . . . . . . . . . . . . 5.2 tptt -63.2 -46.76 85.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 44.689999999999998 110.784 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 81' ' ' THR . . . . . . . . . . . . . 4.6 p -76.11 59.73 1.37 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.058 -0.519 . . . . 41.189999999999998 111.029 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 82' ' ' THR . . . . . . . . . . . . . 7.2 t . . . . . 0 C--O 1.248 0.978 0 CA-C-O 118.302 -0.856 . . . . 50.619999999999997 110.908 -180.0 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 17.0 ttt180 . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.849 0.356 . . . . 48.960000000000001 111.179 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 59.33 74.48 0.44 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.121 -0.49 . . . . 38.200000000000003 110.819 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.55 -36.7 74.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 39.729999999999997 110.819 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.22 -40.4 85.73 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.203 -0.453 . . . . 31.789999999999999 110.872 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -67.64 -53.22 29.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.993 0.425 . . . . 28.32 110.45 179.63 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 1.5 ttp180 -59.55 -47.43 85.59 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.88 -0.6 . . . . 28.66 110.349 179.468 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 15.0 mt -53.68 -49.83 67.16 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.691 -0.686 . . . . 30.739999999999998 110.767 179.637 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.4 ' HA ' HD11 ' B' ' 74' ' ' LEU . . . -52.07 -41.43 62.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 26.09 110.806 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -73.97 -37.18 64.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.002 -0.545 . . . . 26.260000000000002 110.665 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -66.79 -44.41 81.35 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.129 -0.487 . . . . 25.57 110.736 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -68.83 -37.29 79.08 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.061 -0.518 . . . . 19.77 110.494 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 33.2 p -68.43 -35.66 77.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.006 -0.543 . . . . 16.420000000000002 110.666 179.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.87 -43.69 98.33 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.241 -0.436 . . . . 18.210000000000001 110.657 179.766 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 9.5 mt -57.71 -42.63 84.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.07 -0.513 . . . . 18.379999999999999 110.632 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 48.9 t -67.45 -47.1 81.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 10.69 110.982 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 53.2 tttt -56.86 -59.98 4.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.439 . . . . 18.879999999999999 110.367 179.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 4.9 ttmt -54.13 -33.25 57.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 23.629999999999999 110.071 179.414 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 7.8 tmm? -66.66 -44.5 81.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.86 -0.609 . . . . 9.4499999999999993 110.212 179.506 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 66.0 t -68.66 -35.86 71.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.102 -0.499 . . . . 6.4900000000000002 110.491 179.494 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.476 ' CZ ' ' HD3' ' A' ' 75' ' ' LYS . 64.2 t80 -54.7 -58.71 6.45 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.068 -0.514 . . . . 18.780000000000001 110.216 179.614 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -53.27 -49.45 66.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.253 -0.431 . . . . 11.220000000000001 110.7 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 17.6 m -60.04 -69.68 0.2 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.269 -0.423 . . . . 11.52 110.3 179.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.467 ' CD1' ' HB2' ' B' ' 62' ' ' GLN . 16.6 mt -50.57 -36.37 34.36 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.996 -0.547 . . . . 19.039999999999999 111.211 -179.834 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.476 ' HD3' ' CZ ' ' A' ' 71' ' ' PHE . 7.6 ttpp -55.5 -69.35 0.14 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.094 0.473 . . . . 22.84 110.171 179.534 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.65 -26.73 68.19 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.635 -0.711 . . . . 16.620000000000001 110.878 179.801 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.415 ' HB3' ' HA ' ' A' ' 74' ' ' LEU . 0.5 OUTLIER -67.83 -59.72 3.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.311 -0.404 . . . . 20.640000000000001 110.582 179.909 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.41 ' CD1' ' CD1' ' D' ' 77' ' ' LEU . 18.9 m-85 -59.18 -24.0 62.71 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.818 0.342 . . . . 26.149999999999999 110.671 179.678 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 7.0 mmtt -68.06 -34.17 75.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 27.780000000000001 110.591 179.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 18.9 tttt -69.53 -29.28 66.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.492 . . . . 30.579999999999998 110.974 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -64.81 -54.67 27.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 34.439999999999998 111.051 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 69.1 p . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.232 -0.89 . . . . 41.57 110.997 -179.866 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.8 0.333 . . . . 44.359999999999999 111.284 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -93.67 22.04 5.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.278 -0.419 . . . . 40.039999999999999 110.988 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.2 -27.82 69.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.348 -0.387 . . . . 34.159999999999997 110.762 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -54.47 -38.13 66.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 33.82 110.97 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.72 -45.32 52.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.042 -0.526 . . . . 31.030000000000001 110.792 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -53.8 -36.14 62.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 27.0 110.962 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . 0.417 ' O ' ' N ' ' B' ' 61' ' ' GLU . 17.1 mt -74.2 -58.52 3.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 19.09 110.953 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -42.9 -30.12 0.38 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.063 -0.517 . . . . 19.09 111.117 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 40.1 t0 -85.11 -36.63 21.02 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.876 -0.602 . . . . 23.75 110.831 179.641 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . 0.417 ' N ' ' O ' ' B' ' 58' ' ' LEU . 12.6 tp10 -71.69 -47.94 50.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.053 0.454 . . . . 16.699999999999999 110.572 179.693 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . 0.467 ' HB2' ' CD1' ' A' ' 74' ' ' LEU . 2.0 mm-40 -68.95 -35.29 76.59 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.051 -0.522 . . . . 15.51 111.145 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 65.5 p -66.11 -54.94 19.38 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.696 0.284 . . . . 14.210000000000001 110.83 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . 0.442 ' HG3' ' N ' ' B' ' 65' ' ' LEU . 0.4 OUTLIER -52.15 -30.01 24.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.95 0.405 . . . . 8.6799999999999997 110.586 179.703 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . 0.442 ' N ' ' HG3' ' B' ' 64' ' ' GLU . 0.1 OUTLIER -67.26 -37.03 82.82 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.07 -0.514 . . . . 7.0499999999999998 110.805 179.661 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 3.5 t -67.24 -34.38 68.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 7.5999999999999996 111.113 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 2.7 ttpt -61.18 -62.29 1.95 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.204 -0.453 . . . . 17.260000000000002 110.899 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 9.3 ptmt -55.0 -26.65 38.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.881 0.372 . . . . 17.82 110.537 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 69' ' ' MET . . . . . 0.434 ' CE ' ' HB3' ' D' ' 62' ' ' GLN . 41.4 ttp -73.33 -53.29 11.14 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.154 -0.475 . . . . 13.109999999999999 110.793 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 66.4 t -76.65 -21.49 14.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 15.630000000000001 111.116 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 25.0 t80 -64.51 -45.15 88.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.93 0.395 . . . . 26.359999999999999 110.319 179.605 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -68.28 -41.77 80.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.017 -0.538 . . . . 28.800000000000001 110.463 179.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 73' ' ' THR . . . . . . . . . . . . . 29.0 m -56.85 -53.03 62.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.488 . . . . 22.149999999999999 110.759 179.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 74' ' ' LEU . . . . . 0.4 HD11 ' HA ' ' A' ' 59' ' ' ALA . 16.1 mt -57.02 -40.38 76.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.126 -0.488 . . . . 21.190000000000001 110.693 179.727 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 15.4 ttpp -49.55 -44.72 46.87 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.159 -0.473 . . . . 27.050000000000001 110.654 179.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -73.42 -37.93 65.72 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.816 -0.629 . . . . 31.449999999999999 110.299 179.536 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 11.3 mt -54.47 -51.44 65.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.005 -0.543 . . . . 30.960000000000001 110.514 179.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 48.4 m-85 -73.91 -37.98 64.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.1 -0.5 . . . . 33.020000000000003 110.823 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 7.9 ttmm -60.91 -33.09 72.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 42.299999999999997 110.76 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.43 -23.44 49.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 40.200000000000003 110.871 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 6.5 t -163.41 121.46 1.93 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.279 -0.419 . . . . 42.469999999999999 110.834 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.995 0 CA-C-O 118.191 -0.909 . . . . 47.280000000000001 110.929 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 52' ' ' ARG . . . . . . . . . . . . . 17.2 ttt180 . . . . . 0 N--CA 1.487 1.401 0 CA-C-O 120.849 0.357 . . . . 46.890000000000001 111.192 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 59.57 73.96 0.46 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.496 . . . . 43.719999999999999 110.975 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.12 -37.08 73.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 39.93 110.74 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.88 -40.48 84.51 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.256 -0.429 . . . . 36.020000000000003 110.907 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -67.71 -52.8 33.46 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.317 -0.401 . . . . 31.77 110.461 179.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 57' ' ' ARG . . . . . . . . . . . . . 1.5 ttp180 -59.99 -47.17 86.95 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.928 -0.578 . . . . 40.170000000000002 110.286 179.527 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 14.8 mt -53.72 -50.06 66.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.683 -0.689 . . . . 28.27 110.766 179.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.88 -41.52 61.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.134 -0.485 . . . . 20.539999999999999 110.887 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -73.92 -37.09 64.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.093 -0.503 . . . . 20.629999999999999 110.757 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -66.87 -44.27 81.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 22.23 110.781 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -68.88 -37.48 79.07 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.058 -0.519 . . . . 25.34 110.515 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 63' ' ' SER . . . . . . . . . . . . . 34.4 p -68.29 -35.73 78.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.985 -0.552 . . . . 18.260000000000002 110.617 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.95 -43.48 98.75 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.239 -0.437 . . . . 26.640000000000001 110.631 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 65' ' ' LEU . . . . . . . . . . . . . 9.5 mt -57.99 -42.47 85.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.09 -0.504 . . . . 19.77 110.69 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 66' ' ' VAL . . . . . . . . . . . . . 50.1 t -67.47 -47.23 81.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.12 -0.491 . . . . 16.710000000000001 110.945 179.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 67' ' ' LYS . . . . . . . . . . . . . 53.5 tttt -56.67 -60.33 3.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.274 -0.421 . . . . 11.84 110.346 179.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 68' ' ' LYS . . . . . . . . . . . . . 4.9 ttmt -53.9 -33.27 56.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 13.390000000000001 110.147 179.401 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 69' ' ' MET . . . . . . . . . . . . . 7.6 tmm? -66.55 -44.55 82.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.84 -0.618 . . . . 9.4700000000000006 110.223 179.535 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 71.6 t -68.58 -36.22 73.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.063 -0.517 . . . . 10.41 110.471 179.535 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 71' ' ' PHE . . . . . 0.471 ' CZ ' ' HD3' ' C' ' 75' ' ' LYS . 64.6 t80 -54.14 -58.89 5.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.055 -0.521 . . . . 15.01 110.273 179.621 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -53.1 -49.51 66.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 12.9 110.669 179.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 73' ' ' THR . . . . . . . . . . . . . 17.7 m -60.16 -69.47 0.22 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.311 -0.404 . . . . 11.68 110.37 179.671 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 74' ' ' LEU . . . . . 0.468 ' CD1' ' HB2' ' D' ' 62' ' ' GLN . 16.2 mt -50.82 -36.37 37.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.063 -0.517 . . . . 14.65 111.092 -179.784 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 75' ' ' LYS . . . . . 0.471 ' HD3' ' CZ ' ' C' ' 71' ' ' PHE . 7.6 ttpp -55.45 -69.4 0.14 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.093 0.473 . . . . 13.75 110.229 179.497 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 76' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.37 -26.98 68.19 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.692 -0.685 . . . . 17.149999999999999 110.923 179.663 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 77' ' ' LEU . . . . . 0.42 ' HB3' ' HA ' ' C' ' 74' ' ' LEU . 0.5 OUTLIER -67.72 -59.89 2.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.304 -0.407 . . . . 21.18 110.615 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' C' C ' 78' ' ' TYR . . . . . . . . . . . . . 19.1 m-85 -59.22 -23.51 62.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.492 -0.322 . . . . 26.82 110.619 179.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 6.9 mmtt -68.47 -34.04 75.23 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.307 -0.406 . . . . 29.469999999999999 110.65 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 19.0 tttt -69.54 -29.39 66.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.045 -0.525 . . . . 27.829999999999998 110.891 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -64.67 -54.8 25.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 35.609999999999999 111.089 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 82' ' ' THR . . . . . . . . . . . . . 70.4 p . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.22 -0.895 . . . . 37.729999999999997 111.048 179.993 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.815 0.34 . . . . 46.060000000000002 111.162 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -93.73 22.13 5.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 39.049999999999997 110.945 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.42 -27.78 69.23 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.392 -0.367 . . . . 34.030000000000001 110.75 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 55' ' ' ALA . . . . . . . . . . . . . . . -54.55 -38.28 66.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.479 . . . . 30.800000000000001 110.853 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.58 -45.2 54.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 32.090000000000003 110.786 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 57' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -54.04 -35.87 62.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.485 . . . . 29.52 110.888 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 58' ' ' LEU . . . . . 0.41 ' O ' ' N ' ' D' ' 61' ' ' GLU . 17.6 mt -74.41 -58.59 3.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 22.68 110.904 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 59' ' ' ALA . . . . . . . . . . . . . . . -42.92 -30.02 0.37 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.042 -0.526 . . . . 21.300000000000001 111.109 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 60' ' ' ASP . . . . . . . . . . . . . 40.1 t0 -85.22 -36.56 20.88 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.907 -0.588 . . . . 18.199999999999999 110.863 179.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 61' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' D' ' 58' ' ' LEU . 12.6 tp10 -71.68 -47.95 50.76 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.185 -0.461 . . . . 12.82 110.581 179.564 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 62' ' ' GLN . . . . . 0.468 ' HB2' ' CD1' ' C' ' 74' ' ' LEU . 1.9 mm-40 -69.03 -35.35 76.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.056 -0.52 . . . . 10.949999999999999 111.154 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 63' ' ' SER . . . . . . . . . . . . . 65.4 p -65.99 -54.94 19.67 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.712 0.292 . . . . 16.640000000000001 110.798 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 64' ' ' GLU . . . . . 0.445 ' HG3' ' N ' ' D' ' 65' ' ' LEU . 0.4 OUTLIER -52.28 -29.87 25.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.871 0.367 . . . . 17.219999999999999 110.594 179.695 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' D' D ' 65' ' ' LEU . . . . . 0.445 ' N ' ' HG3' ' D' ' 64' ' ' GLU . 0.1 OUTLIER -67.51 -36.91 81.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.109 -0.496 . . . . 11.18 110.712 179.78 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' D' D ' 66' ' ' VAL . . . . . . . . . . . . . 3.6 t -67.33 -34.44 68.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.197 -0.456 . . . . 10.48 111.087 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 67' ' ' LYS . . . . . . . . . . . . . 2.6 ttpt -61.31 -61.97 2.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 16.210000000000001 110.934 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 68' ' ' LYS . . . . . . . . . . . . . 9.2 ptmt -55.21 -26.67 40.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.829 0.347 . . . . 10.199999999999999 110.49 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 69' ' ' MET . . . . . 0.437 ' CE ' ' HB3' ' B' ' 62' ' ' GLN . 41.7 ttp -73.45 -53.15 11.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.068 -0.514 . . . . 10.949999999999999 110.774 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 70' ' ' VAL . . . . . . . . . . . . . 67.8 t -76.72 -21.33 14.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 10.75 111.145 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 25.6 t80 -64.87 -44.71 88.79 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.351 -0.386 . . . . 17.989999999999998 110.42 179.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -68.54 -41.6 79.65 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.084 -0.507 . . . . 23.510000000000002 110.448 179.506 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 73' ' ' THR . . . . . . . . . . . . . 29.1 m -56.98 -53.14 61.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.09 -0.505 . . . . 23.440000000000001 110.629 179.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 74' ' ' LEU . . . . . . . . . . . . . 16.4 mt -56.99 -40.47 76.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 27.219999999999999 110.57 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 75' ' ' LYS . . . . . . . . . . . . . 15.4 ttpp -49.44 -44.82 45.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 29.609999999999999 110.563 179.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 76' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -73.2 -38.14 66.21 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.903 -0.589 . . . . 28.649999999999999 110.413 179.466 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 77' ' ' LEU . . . . . 0.41 ' CD1' ' CD1' ' A' ' 78' ' ' TYR . 11.4 mt -54.39 -51.12 65.84 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.94 -0.573 . . . . 28.73 110.675 179.663 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 78' ' ' TYR . . . . . . . . . . . . . 47.3 m-85 -74.05 -38.2 64.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.052 -0.522 . . . . 34.350000000000001 110.777 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 79' ' ' LYS . . . . . . . . . . . . . 8.0 ttmm -60.88 -33.14 72.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.058 -0.519 . . . . 44.399999999999999 110.8 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 80' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.33 -23.55 49.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 42.600000000000001 110.845 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 81' ' ' THR . . . . . . . . . . . . . 6.6 t -163.31 121.34 1.95 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.236 -0.438 . . . . 41.210000000000001 110.92 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 82' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.001 0 CA-C-O 118.34 -0.838 . . . . 47.380000000000003 110.844 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 11.9 ptm180 . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.817 0.341 . . . . 46.0 111.217 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 48.8 t-20 -137.77 63.91 1.53 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.473 . . . . 41.990000000000002 110.902 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.58 -26.77 68.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.457 . . . . 39.770000000000003 110.988 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.14 -35.92 65.22 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.45 -0.341 . . . . 35.32 111.121 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -64.86 -56.61 12.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 30.789999999999999 110.89 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.439 ' HG3' ' N ' ' A' ' 58' ' ' LEU . 3.4 ptt180 -66.89 -48.37 68.92 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.92 -0.582 . . . . 40.359999999999999 110.444 179.812 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.439 ' N ' ' HG3' ' A' ' 57' ' ' ARG . 0.3 OUTLIER -51.38 -43.82 62.0 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.738 -0.665 . . . . 29.390000000000001 110.396 179.344 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.19 -40.67 82.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.014 -0.539 . . . . 21.149999999999999 111.009 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -55.29 -40.2 70.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.039 -0.528 . . . . 19.190000000000001 110.836 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.74 -58.53 7.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 21.34 110.838 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.414 ' OE1' ' N ' ' A' ' 62' ' ' GLN . 6.2 mp0 -51.0 -52.68 40.41 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.99 -0.55 . . . . 24.370000000000001 110.761 179.82 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 96.7 p -55.25 -30.4 59.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.121 -0.491 . . . . 19.82 110.834 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 54.8 tt0 -67.78 -50.46 56.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 26.32 110.764 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.7 mt -53.47 -39.54 64.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 20.969999999999999 110.719 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 59.1 t -69.05 -44.25 81.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.068 -0.515 . . . . 16.440000000000001 110.921 179.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 19.0 tttt -61.0 -51.28 69.89 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.052 -0.522 . . . . 9.8800000000000008 110.629 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.2 ttpt -56.63 -29.41 62.18 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.195 -0.457 . . . . 15.470000000000001 110.389 179.588 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 50.2 ttp -70.0 -42.41 73.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.988 -0.551 . . . . 9.8800000000000008 110.596 179.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 59.6 t -70.12 -42.87 79.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.082 -0.508 . . . . 10.529999999999999 110.763 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 46.3 t80 -50.61 -61.6 2.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.462 -0.335 . . . . 16.710000000000001 110.514 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -50.72 -45.14 58.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.351 -0.386 . . . . 14.26 110.517 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.1 m -62.3 -72.44 0.13 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.035 -0.529 . . . . 10.51 110.219 179.494 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.476 ' CD1' ' CB ' ' B' ' 62' ' ' GLN . 12.7 mt -49.53 -34.29 16.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.102 -0.499 . . . . 14.48 111.078 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.3 ttpt -54.18 -67.6 0.25 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.104 -0.498 . . . . 14.949999999999999 110.301 179.697 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -64.71 -31.17 72.27 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.739 -0.664 . . . . 18.309999999999999 111.089 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.412 ' HB3' ' HA ' ' A' ' 74' ' ' LEU . 0.9 OUTLIER -65.07 -57.53 8.39 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.348 -0.387 . . . . 21.59 110.824 -179.854 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 22.1 m-30 -61.23 -22.78 65.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.373 -0.376 . . . . 27.82 110.929 179.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -71.48 -32.39 68.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.374 -0.375 . . . . 26.280000000000001 110.588 179.793 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.4 -39.69 85.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 30.440000000000001 110.85 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -56.4 -81.21 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.18 -0.464 . . . . 35.590000000000003 110.877 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 5.4 t . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.245 -0.884 . . . . 39.590000000000003 110.888 179.984 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 30.4 mmt180 . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.864 0.364 . . . . 44.57 111.173 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -123.13 20.78 9.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.151 -0.477 . . . . 38.560000000000002 111.061 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.85 -28.53 66.17 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.354 -0.385 . . . . 33.68 110.662 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.1 -45.08 83.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.089 -0.505 . . . . 30.489999999999998 110.892 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -64.68 -56.07 16.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.015 -0.539 . . . . 34.219999999999999 110.691 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 28.8 mtt-85 -52.01 -28.62 17.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 28.16 110.478 179.672 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 14.9 mt -71.05 -60.05 2.45 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.976 -0.556 . . . . 22.550000000000001 110.621 179.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -49.29 -38.05 26.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.904 -0.589 . . . . 21.899999999999999 110.901 179.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -59.09 -45.19 91.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.071 -0.513 . . . . 19.68 110.451 179.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -62.02 -40.83 97.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.091 -0.504 . . . . 13.279999999999999 110.446 179.602 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . 0.476 ' CB ' ' CD1' ' A' ' 74' ' ' LEU . 2.4 mm-40 -66.39 -46.3 77.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.026 -0.534 . . . . 10.91 110.505 179.629 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 1.4 m -55.7 -65.02 0.67 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.015 -0.539 . . . . 16.719999999999999 110.805 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . 0.43 ' HG3' ' N ' ' B' ' 65' ' ' LEU . 1.3 pt-20 -49.43 -30.52 8.11 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.253 -0.431 . . . . 17.039999999999999 110.861 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . 0.43 ' N ' ' HG3' ' B' ' 64' ' ' GLU . 0.2 OUTLIER -72.19 -42.79 65.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 11.800000000000001 110.546 179.717 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 19.0 t -63.79 -34.28 67.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.123 -0.49 . . . . 8.7200000000000006 110.991 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 12.6 ttpt -64.11 -51.81 62.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 13.199999999999999 110.802 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.7 -32.03 68.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.284 -0.416 . . . . 10.220000000000001 110.706 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 69' ' ' MET . . . . . 0.408 ' CE ' ' HB3' ' D' ' 62' ' ' GLN . 29.2 ttp -71.5 -50.59 29.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 11.07 110.79 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 93.0 t -75.59 -23.18 16.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.098 -0.501 . . . . 10.99 111.06 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -63.47 -44.19 95.16 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.294 -0.412 . . . . 17.780000000000001 110.668 179.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 43.6 t0 -69.94 -41.14 74.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 23.390000000000001 110.683 179.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 73' ' ' THR . . . . . . . . . . . . . 99.4 m -54.6 -59.08 5.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 24.420000000000002 110.836 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 72.8 mt -50.6 -38.44 45.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 27.059999999999999 110.805 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 44.9 tttm -52.93 -51.81 60.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.032 0.444 . . . . 30.289999999999999 110.628 179.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -68.49 -32.4 72.35 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.858 -0.61 . . . . 28.23 110.672 179.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 20.7 mt -61.74 -44.99 95.83 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.054 -0.521 . . . . 28.77 110.579 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -84.12 -27.33 28.25 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.006 -0.543 . . . . 34.060000000000002 110.747 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -53.52 -26.52 21.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.058 -0.519 . . . . 44.380000000000003 110.738 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 2.4 mttt -58.03 -58.06 10.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 42.659999999999997 110.742 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -68.37 63.4 0.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.091 -0.504 . . . . 42.539999999999999 110.907 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 9.1 t . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.21 -0.9 . . . . 51.729999999999997 110.882 179.978 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 52' ' ' ARG . . . . . . . . . . . . . 11.9 ptm180 . . . . . 0 N--CA 1.487 1.421 0 CA-C-O 120.848 0.356 . . . . 47.82 111.33 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 53' ' ' ASN . . . . . . . . . . . . . 48.8 t-20 -137.89 64.12 1.52 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.074 -0.512 . . . . 36.399999999999999 110.886 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.69 -26.86 68.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.105 -0.498 . . . . 37.57 111.011 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.06 -35.88 64.98 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.843 0.354 . . . . 30.780000000000001 111.141 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -64.97 -56.44 13.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 27.440000000000001 110.949 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 57' ' ' ARG . . . . . 0.433 ' HG3' ' N ' ' C' ' 58' ' ' LEU . 3.4 ptt180 -67.12 -48.16 68.94 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.954 -0.566 . . . . 27.93 110.362 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 58' ' ' LEU . . . . . 0.433 ' N ' ' HG3' ' C' ' 57' ' ' ARG . 0.3 OUTLIER -51.53 -43.72 62.39 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.748 -0.66 . . . . 28.690000000000001 110.396 179.417 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.35 -40.67 82.8 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.998 -0.546 . . . . 25.859999999999999 110.975 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -55.15 -40.21 70.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.108 -0.497 . . . . 27.120000000000001 110.9 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.59 -58.71 7.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 28.149999999999999 110.893 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 62' ' ' GLN . . . . . 0.413 ' OE1' ' N ' ' C' ' 62' ' ' GLN . 6.2 mp0 -50.96 -52.59 40.98 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.951 -0.568 . . . . 20.68 110.755 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 63' ' ' SER . . . . . . . . . . . . . 98.6 p -55.24 -30.57 60.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.081 -0.509 . . . . 16.460000000000001 110.762 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 54.6 tt0 -67.72 -50.28 58.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 18.59 110.816 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 65' ' ' LEU . . . . . . . . . . . . . 3.7 mt -53.61 -39.7 65.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 17.420000000000002 110.637 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 66' ' ' VAL . . . . . . . . . . . . . 55.1 t -69.09 -44.01 81.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 10.31 110.951 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 67' ' ' LYS . . . . . . . . . . . . . 18.9 tttt -61.14 -51.17 70.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.996 -0.547 . . . . 20.18 110.561 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 68' ' ' LYS . . . . . . . . . . . . . 1.2 ttpt -56.73 -29.55 62.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.291 -0.413 . . . . 23.25 110.371 179.627 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 69' ' ' MET . . . . . . . . . . . . . 50.6 ttp -69.76 -42.5 73.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.958 -0.565 . . . . 8.5700000000000003 110.646 179.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 63.5 t -70.09 -42.99 79.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.139 -0.482 . . . . 5.1799999999999997 110.762 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 71' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -50.47 -61.44 2.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.462 -0.336 . . . . 16.030000000000001 110.604 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -50.84 -45.08 59.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.346 -0.388 . . . . 9.1799999999999997 110.529 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 73' ' ' THR . . . . . . . . . . . . . 18.1 m -62.32 -72.46 0.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.067 -0.515 . . . . 12.93 110.314 179.465 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 74' ' ' LEU . . . . . 0.481 ' CD1' ' CB ' ' D' ' 62' ' ' GLN . 13.2 mt -49.7 -34.14 17.9 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.154 -0.475 . . . . 19.640000000000001 111.006 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 75' ' ' LYS . . . . . . . . . . . . . 2.3 ttpt -54.18 -67.58 0.25 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.19 -0.459 . . . . 20.600000000000001 110.283 179.632 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 76' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -64.78 -31.18 72.29 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.736 -0.666 . . . . 15.449999999999999 111.072 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.15 -57.32 8.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.355 -0.384 . . . . 20.52 110.804 -179.832 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 78' ' ' TYR . . . . . . . . . . . . . 22.1 m-30 -61.33 -22.87 65.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.361 -0.381 . . . . 25.890000000000001 110.902 179.704 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -71.54 -32.02 67.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.388 -0.369 . . . . 27.309999999999999 110.601 179.829 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.55 -39.95 84.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.276 -0.42 . . . . 30.329999999999998 110.834 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 81' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -56.22 -81.2 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.067 -0.515 . . . . 34.189999999999998 110.939 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 82' ' ' THR . . . . . . . . . . . . . 5.4 t . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.216 -0.897 . . . . 41.090000000000003 110.924 179.923 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' D' D ' 52' ' ' ARG . . . . . . . . . . . . . 30.6 mmt180 . . . . . 0 N--CA 1.487 1.398 0 CA-C-O 120.843 0.354 . . . . 44.520000000000003 111.166 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' D' D ' 53' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -123.18 20.61 9.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 41.170000000000002 111.037 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.67 -28.62 65.9 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.372 -0.376 . . . . 35.090000000000003 110.662 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.09 -45.0 83.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.065 -0.516 . . . . 35.159999999999997 110.895 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -64.83 -56.1 15.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.016 -0.538 . . . . 31.949999999999999 110.635 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 57' ' ' ARG . . . . . . . . . . . . . 29.7 mtt-85 -51.96 -28.72 17.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 27.530000000000001 110.489 179.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 58' ' ' LEU . . . . . . . . . . . . . 14.8 mt -70.96 -59.93 2.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.944 -0.571 . . . . 20.07 110.555 179.683 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 59' ' ' ALA . . . . . . . . . . . . . . . -49.47 -37.95 28.09 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.873 -0.603 . . . . 18.370000000000001 110.889 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 60' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -59.21 -45.04 92.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.045 -0.525 . . . . 23.210000000000001 110.58 179.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 61' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -62.1 -40.98 97.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.064 -0.516 . . . . 16.510000000000002 110.451 179.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 62' ' ' GLN . . . . . 0.481 ' CB ' ' CD1' ' C' ' 74' ' ' LEU . 2.6 mm-40 -66.22 -46.4 77.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.95 -0.568 . . . . 15.789999999999999 110.512 179.647 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 63' ' ' SER . . . . . . . . . . . . . 1.4 m -55.69 -64.7 0.77 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.949 -0.569 . . . . 14.720000000000001 110.885 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 64' ' ' GLU . . . . . 0.434 ' HG3' ' N ' ' D' ' 65' ' ' LEU . 1.3 pt-20 -49.61 -30.67 9.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.285 -0.416 . . . . 10.31 110.712 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 65' ' ' LEU . . . . . 0.434 ' N ' ' HG3' ' D' ' 64' ' ' GLU . 0.2 OUTLIER -71.93 -42.7 66.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.118 -0.492 . . . . 6.4100000000000001 110.533 179.688 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' D' D ' 66' ' ' VAL . . . . . . . . . . . . . 18.9 t -63.88 -34.21 66.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 8.9399999999999995 111.049 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 67' ' ' LYS . . . . . . . . . . . . . 12.6 ttpt -64.29 -51.69 62.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.098 -0.501 . . . . 20.120000000000001 110.806 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.85 -31.97 69.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.424 . . . . 19.649999999999999 110.805 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 69' ' ' MET . . . . . 0.429 ' CE ' ' HB3' ' B' ' 62' ' ' GLN . 30.1 ttp -71.65 -50.36 31.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.059 -0.519 . . . . 12.83 110.795 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 70' ' ' VAL . . . . . . . . . . . . . 91.8 t -75.77 -23.23 16.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.054 -0.521 . . . . 15.35 111.044 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -63.42 -44.15 95.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.313 -0.403 . . . . 26.260000000000002 110.635 179.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 43.9 t0 -69.94 -40.95 75.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.106 -0.497 . . . . 28.140000000000001 110.751 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 73' ' ' THR . . . . . . . . . . . . . 99.4 m -54.86 -59.14 5.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.131 -0.486 . . . . 21.030000000000001 110.799 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 74' ' ' LEU . . . . . . . . . . . . . 72.7 mt -50.27 -38.78 42.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.434 . . . . 21.289999999999999 110.786 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 75' ' ' LYS . . . . . . . . . . . . . 44.9 tttm -52.64 -51.98 57.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 27.859999999999999 110.652 179.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 76' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -68.5 -32.33 72.23 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.876 -0.602 . . . . 31.219999999999999 110.605 179.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 77' ' ' LEU . . . . . . . . . . . . . 20.3 mt -61.77 -44.79 96.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 30.800000000000001 110.581 179.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 78' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -84.45 -27.16 27.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.036 -0.529 . . . . 33.439999999999998 110.647 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 79' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -53.62 -26.55 22.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 40.700000000000003 110.794 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 80' ' ' LYS . . . . . . . . . . . . . 2.4 mttt -57.89 -58.13 9.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 41.68 110.729 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 81' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -68.37 63.34 0.1 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.087 -0.506 . . . . 42.740000000000002 110.953 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 82' ' ' THR . . . . . . . . . . . . . 9.3 t . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.268 -0.872 . . . . 50.369999999999997 110.881 179.956 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 27.8 ptt180 . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.764 0.316 . . . . 49.189999999999998 111.247 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -144.06 79.35 1.61 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.302 -0.408 . . . . 38.0 110.897 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 42.6 m-20 -66.13 -26.48 67.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 40.329999999999998 110.908 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.4 ' CB ' ' HB3' ' B' ' 78' ' ' TYR . . . -60.04 -35.73 75.75 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.371 -0.377 . . . . 32.159999999999997 110.799 179.807 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -70.66 -55.29 9.07 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.193 -0.458 . . . . 29.149999999999999 110.446 179.674 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.09 -42.78 99.14 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.912 -0.585 . . . . 28.98 110.339 179.574 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 16.2 mt -57.79 -50.13 74.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.767 -0.651 . . . . 31.399999999999999 110.762 179.648 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -49.99 -36.11 27.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.235 -0.439 . . . . 26.420000000000002 110.876 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -71.37 -32.03 68.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.129 -0.487 . . . . 25.550000000000001 110.518 179.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -72.54 -42.68 64.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.076 -0.511 . . . . 26.969999999999999 110.503 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 42.5 mm-40 -62.64 -49.23 76.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.917 -0.583 . . . . 19.66 110.507 179.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.0 m -58.93 -35.14 72.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.104 -0.498 . . . . 16.309999999999999 110.512 179.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.6 -47.83 84.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.043 -0.526 . . . . 18.309999999999999 110.511 179.691 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.8 mt -57.82 -39.69 78.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 18.98 110.382 179.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 55.7 t -71.52 -51.58 32.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.048 -0.524 . . . . 10.6 110.839 179.639 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 6.9 tttt -57.23 -46.07 83.32 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.176 -0.465 . . . . 17.780000000000001 110.406 179.587 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 15.0 ttmt -65.32 -39.5 92.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 22.870000000000001 110.207 179.465 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 5.4 tmm? -64.06 -37.43 87.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.841 -0.618 . . . . 10.0 110.265 179.488 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.433 ' CG1' ' HG ' ' A' ' 74' ' ' LEU . 75.7 t -72.78 -38.01 56.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.006 -0.543 . . . . 7.0899999999999999 110.765 179.76 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.488 ' CE1' ' HD3' ' A' ' 75' ' ' LYS . 10.3 t80 -54.73 -56.85 14.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.461 -0.336 . . . . 19.530000000000001 110.518 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -53.81 -45.3 70.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.259 -0.428 . . . . 12.140000000000001 110.558 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.3 m -65.52 -67.4 0.44 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 11.109999999999999 110.279 179.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.466 ' HB3' ' CE2' ' A' ' 78' ' ' TYR . 12.2 mt -50.69 -36.97 38.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.309 -0.405 . . . . 18.780000000000001 110.826 179.842 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.488 ' HD3' ' CE1' ' A' ' 71' ' ' PHE . 3.9 ttpp -54.31 -69.29 0.13 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.128 -0.487 . . . . 22.98 110.115 179.41 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -62.07 -32.45 72.98 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.626 -0.715 . . . . 17.18 110.952 179.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.408 ' HB3' ' HA ' ' A' ' 74' ' ' LEU . 0.7 OUTLIER -61.81 -52.5 63.93 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.433 -0.349 . . . . 19.760000000000002 110.451 179.867 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.466 ' CE2' ' HB3' ' A' ' 74' ' ' LEU . 20.6 m-85 -65.59 -19.84 66.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.302 -0.408 . . . . 26.34 110.751 179.434 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 5.7 ttmm -74.64 -27.63 60.52 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.259 -0.428 . . . . 27.309999999999999 110.614 179.556 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.48 -28.47 63.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 30.859999999999999 110.914 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.48 -79.89 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 34.240000000000002 110.951 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 52.9 p . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.182 -0.913 . . . . 42.729999999999997 111.05 -179.985 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 8.6 mtt180 . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.781 0.324 . . . . 47.719999999999999 111.223 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -148.35 -179.17 6.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 39.859999999999999 110.955 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -50.62 -39.36 50.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.067 -0.515 . . . . 33.969999999999999 110.837 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -54.7 -29.31 52.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.092 -0.503 . . . . 32.960000000000001 111.027 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -73.8 -54.36 8.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 30.390000000000001 110.907 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 5.7 mtm-85 -53.24 -43.23 67.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 23.239999999999998 110.868 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . 0.43 ' CD2' HG23 ' D' ' 73' ' ' THR . 81.8 mt -59.34 -59.56 5.26 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.129 -0.487 . . . . 18.760000000000002 110.734 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -49.02 -30.88 6.66 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.998 -0.546 . . . . 18.739999999999998 111.022 179.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 39.7 t0 -71.76 -62.23 1.49 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 23.079999999999998 110.712 179.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -57.41 -37.57 72.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 17.039999999999999 110.557 179.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . 0.421 ' OE1' ' CA ' ' B' ' 62' ' ' GLN . 0.1 OUTLIER -71.14 -41.98 69.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.025 -0.534 . . . . 15.630000000000001 110.686 179.731 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 81.2 p -68.66 -56.33 8.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.235 -0.439 . . . . 14.26 110.773 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -49.96 -30.76 11.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.299 -0.41 . . . . 8.6799999999999997 110.597 179.602 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.75 -44.22 86.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.972 -0.558 . . . . 7.1299999999999999 110.58 179.629 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 13.3 t -60.93 -33.05 54.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.017 -0.538 . . . . 7.4699999999999998 110.881 179.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 4.9 ttmt -61.75 -62.83 1.52 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.044 -0.525 . . . . 16.289999999999999 110.667 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 18.1 mttt -55.35 -27.12 45.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.22 -0.445 . . . . 20.140000000000001 110.481 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 69' ' ' MET . . . . . . . . . . . . . 29.4 ttp -74.88 -52.42 11.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 12.91 110.649 179.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 59.9 t -73.57 -22.91 19.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.09 -0.504 . . . . 15.390000000000001 110.899 179.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -66.14 -45.34 81.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.329 -0.396 . . . . 26.140000000000001 110.376 179.582 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -63.78 -41.62 97.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.086 -0.506 . . . . 28.239999999999998 110.497 179.6 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 73' ' ' THR . . . . . 0.467 HG22 ' CE1' ' C' ' 78' ' ' TYR . 74.1 m -60.62 -57.31 13.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.112 -0.495 . . . . 22.260000000000002 110.839 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 30.4 mt -51.15 -42.85 61.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.262 -0.426 . . . . 20.789999999999999 110.745 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 19.2 tttt -50.99 -42.17 60.05 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.271 -0.422 . . . . 26.300000000000001 110.559 179.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 76' ' ' ASP . . . . . 0.403 ' N ' ' OD1' ' B' ' 76' ' ' ASP . 0.7 OUTLIER -78.04 -30.37 49.84 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.98 -0.554 . . . . 29.739999999999998 110.548 179.554 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . 0.471 ' CD1' ' CD1' ' C' ' 78' ' ' TYR . 43.8 mt -64.02 -46.58 83.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.913 -0.585 . . . . 30.199999999999999 110.47 179.696 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 78' ' ' TYR . . . . . 0.4 ' HB3' ' CB ' ' A' ' 55' ' ' ALA . 5.6 m-85 -79.19 -39.39 33.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.987 -0.551 . . . . 32.240000000000002 110.611 179.756 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 3.8 ttmm -61.38 -29.23 69.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.103 -0.499 . . . . 41.100000000000001 110.743 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.24 -71.01 0.36 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.489 . . . . 40.119999999999997 110.87 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 4.3 t -73.67 68.66 1.24 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.269 -0.423 . . . . 39.82 110.936 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 8.9 t . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.221 -0.895 . . . . 46.460000000000001 110.933 -179.984 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 52' ' ' ARG . . . . . . . . . . . . . 27.7 ptt180 . . . . . 0 N--CA 1.487 1.411 0 CA-C-O 120.8 0.333 . . . . 46.469999999999999 111.21 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 53' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -144.15 79.42 1.61 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 42.700000000000003 110.841 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 43.0 m-20 -66.11 -26.72 67.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 39.25 110.852 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.77 -36.04 75.86 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.909 0.385 . . . . 36.119999999999997 110.907 179.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -70.35 -55.37 9.29 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.125 -0.488 . . . . 31.469999999999999 110.497 179.665 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.06 -42.82 99.21 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.861 -0.609 . . . . 38.649999999999999 110.358 179.553 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 16.0 mt -57.84 -49.98 74.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.733 -0.667 . . . . 27.969999999999999 110.701 179.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -50.23 -36.01 29.14 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.163 -0.471 . . . . 20.550000000000001 110.886 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -71.32 -32.11 68.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 21.030000000000001 110.497 179.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -72.33 -42.65 65.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.071 -0.513 . . . . 22.289999999999999 110.584 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 62' ' ' GLN . . . . . 0.426 ' HB2' ' CD1' ' D' ' 74' ' ' LEU . 42.7 mm-40 -62.7 -49.23 75.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.958 -0.565 . . . . 25.390000000000001 110.516 179.768 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 63' ' ' SER . . . . . . . . . . . . . 4.1 m -58.84 -35.2 72.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.104 -0.498 . . . . 16.789999999999999 110.486 179.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.62 -47.93 83.67 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.082 -0.508 . . . . 25.309999999999999 110.593 179.687 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 65' ' ' LEU . . . . . . . . . . . . . 2.9 mt -57.49 -39.98 77.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.119 -0.491 . . . . 19.379999999999999 110.384 179.597 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 66' ' ' VAL . . . . . . . . . . . . . 55.5 t -71.24 -51.67 32.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.013 -0.54 . . . . 16.379999999999999 110.857 179.678 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 67' ' ' LYS . . . . . . . . . . . . . 6.8 tttt -57.32 -45.93 83.75 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.101 -0.5 . . . . 12.49 110.492 179.588 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 68' ' ' LYS . . . . . . . . . . . . . 15.0 ttmt -65.41 -39.66 92.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 13.140000000000001 110.116 179.467 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 69' ' ' MET . . . . . . . . . . . . . 5.4 tmm? -63.85 -37.57 87.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.867 -0.606 . . . . 9.4000000000000004 110.325 179.47 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 70' ' ' VAL . . . . . 0.427 ' CG1' ' HG ' ' C' ' 74' ' ' LEU . 76.1 t -72.67 -38.17 57.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.012 -0.54 . . . . 10.130000000000001 110.751 179.74 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 71' ' ' PHE . . . . . 0.495 ' CE1' ' HD3' ' C' ' 75' ' ' LYS . 10.1 t80 -54.53 -56.91 13.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.485 -0.325 . . . . 12.98 110.438 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -53.74 -45.17 70.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.265 -0.425 . . . . 11.94 110.624 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 73' ' ' THR . . . . . . . . . . . . . 18.9 m -65.63 -67.14 0.46 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 12.23 110.419 179.58 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 74' ' ' LEU . . . . . 0.479 ' HB3' ' CE2' ' C' ' 78' ' ' TYR . 12.5 mt -51.16 -36.57 41.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.276 -0.42 . . . . 14.99 110.796 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 75' ' ' LYS . . . . . 0.495 ' HD3' ' CE1' ' C' ' 71' ' ' PHE . 3.9 ttpp -54.48 -69.19 0.13 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.128 0.49 . . . . 13.529999999999999 110.203 179.249 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 76' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -62.2 -32.28 72.9 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.646 -0.706 . . . . 16.940000000000001 110.936 179.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.0 -52.56 63.5 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.452 -0.34 . . . . 21.059999999999999 110.376 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 78' ' ' TYR . . . . . 0.479 ' CE2' ' HB3' ' C' ' 74' ' ' LEU . 20.7 m-85 -65.59 -19.78 66.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.324 -0.398 . . . . 25.960000000000001 110.691 179.511 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 5.8 ttmm -74.65 -27.49 60.45 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.319 -0.4 . . . . 28.129999999999999 110.621 179.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.65 -28.38 63.72 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.196 -0.457 . . . . 28.100000000000001 110.929 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.51 -79.82 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.086 -0.506 . . . . 34.270000000000003 110.923 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 82' ' ' THR . . . . . . . . . . . . . 52.4 p . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.241 -0.885 . . . . 39.75 110.925 -179.953 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' D' D ' 52' ' ' ARG . . . . . . . . . . . . . 8.6 mtt180 . . . . . 0 N--CA 1.485 1.307 0 CA-C-O 120.82 0.343 . . . . 47.420000000000002 111.201 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' D' D ' 53' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -148.33 -179.26 6.81 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.255 -0.429 . . . . 40.009999999999998 110.978 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -50.57 -39.18 48.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.427 . . . . 35.649999999999999 110.953 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 55' ' ' ALA . . . . . . . . . . . . . . . -54.97 -29.16 56.25 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.064 -0.517 . . . . 31.449999999999999 111.013 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -73.8 -54.42 8.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.473 . . . . 31.25 110.866 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 57' ' ' ARG . . . . . . . . . . . . . 5.7 mtm-85 -53.18 -43.2 66.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 27.620000000000001 110.907 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 58' ' ' LEU . . . . . 0.427 HD22 ' NE2' ' D' ' 62' ' ' GLN . 81.4 mt -59.47 -59.23 5.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.085 -0.507 . . . . 22.73 110.751 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 59' ' ' ALA . . . . . . . . . . . . . . . -49.27 -30.88 7.9 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.967 -0.56 . . . . 20.859999999999999 110.987 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 60' ' ' ASP . . . . . . . . . . . . . 39.7 t0 -71.86 -62.29 1.47 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.083 -0.508 . . . . 16.850000000000001 110.738 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 61' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -57.24 -37.73 72.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 12.140000000000001 110.555 179.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 62' ' ' GLN . . . . . 0.434 ' HB3' ' CD1' ' C' ' 74' ' ' LEU . 0.0 OUTLIER -71.05 -42.01 70.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.004 -0.544 . . . . 11.06 110.764 179.676 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' D' D ' 63' ' ' SER . . . . . . . . . . . . . 80.8 p -68.64 -56.19 9.02 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.204 -0.453 . . . . 16.629999999999999 110.722 179.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 64' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -50.06 -30.69 11.35 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.966 0.413 . . . . 17.16 110.584 179.687 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.9 -44.11 86.25 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.937 -0.574 . . . . 11.34 110.552 179.731 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 66' ' ' VAL . . . . . . . . . . . . . 13.7 t -61.01 -33.36 55.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.12 -0.491 . . . . 10.720000000000001 110.918 179.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 67' ' ' LYS . . . . . . . . . . . . . 4.8 ttmt -61.36 -62.88 1.52 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 15.92 110.66 179.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 68' ' ' LYS . . . . . . . . . . . . . 18.0 mttt -55.2 -27.2 44.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 9.5600000000000005 110.548 179.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 69' ' ' MET . . . . . . . . . . . . . 29.2 ttp -74.93 -52.37 11.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.028 -0.533 . . . . 10.890000000000001 110.554 179.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 70' ' ' VAL . . . . . . . . . . . . . 58.1 t -73.48 -23.06 19.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 10.93 110.907 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -66.0 -45.62 80.89 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.967 0.413 . . . . 18.23 110.466 179.557 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -63.62 -41.53 98.27 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.991 -0.55 . . . . 23.989999999999998 110.484 179.67 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 73' ' ' THR . . . . . 0.43 HG23 ' CD2' ' B' ' 58' ' ' LEU . 68.0 m -60.68 -57.62 11.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.1 -0.5 . . . . 23.140000000000001 110.815 179.8 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 74' ' ' LEU . . . . . 0.426 ' CD1' ' HB2' ' C' ' 62' ' ' GLN . 30.4 mt -50.74 -42.97 58.05 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.217 -0.447 . . . . 27.170000000000002 110.759 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 75' ' ' LYS . . . . . . . . . . . . . 19.2 tttt -50.93 -42.35 59.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 30.800000000000001 110.567 179.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 76' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -77.94 -30.49 50.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.007 -0.542 . . . . 28.84 110.539 179.594 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 77' ' ' LEU . . . . . 0.413 ' CD1' ' CD1' ' A' ' 78' ' ' TYR . 46.1 mt -63.7 -46.93 83.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.921 -0.581 . . . . 28.91 110.592 179.612 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 78' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -79.01 -39.05 35.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.938 -0.574 . . . . 34.43 110.729 179.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 79' ' ' LYS . . . . . . . . . . . . . 3.7 ttmm -61.69 -28.98 69.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 43.549999999999997 110.81 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 80' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.3 -70.94 0.36 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.043 -0.526 . . . . 42.640000000000001 110.905 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 81' ' ' THR . . . . . . . . . . . . . 4.2 t -73.74 68.64 1.27 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.259 -0.428 . . . . 40.710000000000001 110.928 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 82' ' ' THR . . . . . . . . . . . . . 8.9 t . . . . . 0 C--O 1.25 1.108 0 CA-C-O 118.225 -0.893 . . . . 49.960000000000001 110.84 -179.936 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.808 0.337 . . . . 44.710000000000001 111.199 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 62.4 92.25 0.06 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 36.799999999999997 110.973 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.426 ' O ' ' CB ' ' A' ' 58' ' ' LEU . 17.4 t0 -71.03 -31.44 67.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 38.82 110.882 179.821 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.415 ' O ' ' CB ' ' A' ' 59' ' ' ALA . . . -63.9 -33.87 76.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.369 -0.378 . . . . 30.800000000000001 110.798 179.762 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -66.9 -54.55 21.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 27.84 110.503 179.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.428 ' HG3' ' N ' ' A' ' 58' ' ' LEU . 6.2 ptp180 -68.65 -41.9 78.71 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.858 -0.61 . . . . 28.68 110.34 179.516 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.48 HD12 ' CE1' ' B' ' 78' ' ' TYR . 2.2 tm? -62.84 -48.75 77.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.823 -0.626 . . . . 29.710000000000001 110.441 179.5 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.415 ' CB ' ' O ' ' A' ' 55' ' ' ALA . . . -58.4 -36.78 74.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.022 -0.535 . . . . 26.48 110.882 179.767 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -53.59 -51.36 63.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.429 . . . . 27.09 110.51 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.45 -39.8 92.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.042 -0.527 . . . . 27.48 110.65 179.752 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.427 ' HB2' ' CD1' ' B' ' 74' ' ' LEU . 77.9 mm-40 -59.16 -60.09 4.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.014 -0.539 . . . . 20.25 110.689 179.715 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 9.8 p -58.33 -30.03 66.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 16.329999999999998 110.552 179.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -59.27 -55.52 33.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.046 -0.525 . . . . 18.600000000000001 110.54 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 8.3 mt -54.3 -40.45 67.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.101 -0.499 . . . . 18.960000000000001 110.412 179.567 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 53.6 t -64.62 -50.62 74.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.027 -0.533 . . . . 9.9900000000000002 110.8 179.564 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 24.3 tttt -59.06 -47.32 85.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.024 -0.534 . . . . 19.350000000000001 110.529 179.666 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 22.3 ttpt -58.62 -37.75 76.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.084 -0.507 . . . . 22.82 110.637 179.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 29.6 ttp -64.43 -38.58 91.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.09 -0.505 . . . . 9.1199999999999992 110.505 179.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 73.7 t -74.37 -40.89 50.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.945 -0.571 . . . . 5.9900000000000002 110.966 179.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.483 ' CZ ' ' HD3' ' A' ' 75' ' ' LYS . 15.6 t80 -51.78 -64.24 0.88 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.462 -0.336 . . . . 17.870000000000001 110.622 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -51.1 -40.78 59.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.901 0.382 . . . . 10.49 110.611 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 21.5 m -65.58 -71.11 0.2 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.071 -0.513 . . . . 12.550000000000001 110.314 179.617 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.439 ' CD1' ' HB3' ' B' ' 62' ' ' GLN . 18.2 mt -51.79 -34.61 40.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.091 -0.504 . . . . 19.670000000000002 111.06 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.483 ' HD3' ' CZ ' ' A' ' 71' ' ' PHE . 6.1 tttp -55.55 -64.28 0.9 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.112 0.482 . . . . 23.539999999999999 110.102 179.513 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -66.66 -35.77 80.94 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.677 -0.692 . . . . 16.800000000000001 110.776 179.684 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.404 ' HB3' ' HA ' ' A' ' 74' ' ' LEU . 1.2 tp -61.23 -59.07 5.88 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.228 -0.442 . . . . 20.850000000000001 110.715 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 21.9 m-30 -59.91 -28.89 67.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.292 -0.413 . . . . 26.73 110.668 179.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 25.6 mttt -68.08 -28.46 67.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 28.079999999999998 110.623 179.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 4.9 tttt -65.27 -46.79 79.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.486 . . . . 31.57 110.914 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 78.1 p -50.83 -78.44 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.012 -0.54 . . . . 35.0 110.994 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.7 t . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.198 -0.906 . . . . 41.729999999999997 110.829 -179.945 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 27.9 mmt180 . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.74 0.305 . . . . 42.090000000000003 111.225 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -113.06 24.04 12.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.258 -0.428 . . . . 39.68 110.932 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -67.16 -24.89 65.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 33.600000000000001 110.824 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.28 -45.17 80.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 33.450000000000003 111.133 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -61.33 -47.44 85.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 31.129999999999999 110.88 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 10.1 mmm180 -59.34 -40.5 86.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 23.030000000000001 110.83 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 91.9 mt -61.43 -57.33 12.64 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.994 -0.548 . . . . 18.879999999999999 110.945 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -47.69 -31.5 4.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.018 -0.537 . . . . 18.73 111.1 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -76.35 -53.74 7.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.07 -0.513 . . . . 23.010000000000002 110.761 179.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -60.56 -34.16 73.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 16.52 110.719 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . 0.439 ' HB3' ' CD1' ' A' ' 74' ' ' LEU . 0.1 OUTLIER -77.07 -45.69 26.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 15.890000000000001 110.943 179.864 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 72.1 p -62.35 -52.52 63.29 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.319 -0.4 . . . . 14.449999999999999 110.623 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -54.15 -37.71 64.72 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.143 -0.48 . . . . 9.0600000000000005 110.594 179.677 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.48 -41.59 97.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.048 -0.524 . . . . 6.0800000000000001 110.69 179.774 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 3.5 t -62.23 -38.26 80.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.278 -0.419 . . . . 7.6299999999999999 111.095 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 1.9 ttpm? -57.19 -60.24 3.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.091 -0.504 . . . . 16.84 110.846 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 2.3 mtmp? -53.16 -34.44 56.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 17.109999999999999 110.824 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 69' ' ' MET . . . . . . . . . . . . . 24.6 ttp -67.16 -49.28 65.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 12.869999999999999 110.78 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 86.7 t -74.09 -27.72 22.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.047 -0.524 . . . . 15.289999999999999 111.029 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 37.1 t80 -63.12 -42.41 99.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.297 -0.41 . . . . 26.27 110.655 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -64.42 -51.76 61.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.091 -0.504 . . . . 27.280000000000001 110.749 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 73' ' ' THR . . . . . 0.401 HG23 ' HB3' ' D' ' 58' ' ' LEU . 55.3 m -55.66 -49.51 72.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 21.77 110.906 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 74' ' ' LEU . . . . . 0.427 ' CD1' ' HB2' ' A' ' 62' ' ' GLN . 19.2 mt -56.15 -43.9 78.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 20.690000000000001 110.959 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 3.0 ttpt -49.83 -44.71 49.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.343 -0.39 . . . . 26.870000000000001 110.793 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -74.13 -36.56 64.19 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.015 -0.539 . . . . 30.289999999999999 110.512 179.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 11.3 mt -55.15 -47.62 74.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.008 -0.542 . . . . 30.32 110.748 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 78' ' ' TYR . . . . . 0.48 ' CE1' HD12 ' A' ' 58' ' ' LEU . 2.5 m-85 -74.57 -45.98 41.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.02 -0.536 . . . . 32.799999999999997 111.027 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 4.0 mtmt -51.44 -31.11 21.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.293 -0.412 . . . . 41.810000000000002 110.772 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 8.1 mmtt -73.0 -40.26 65.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.463 . . . . 43.009999999999998 110.576 179.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 1.2 p -85.22 51.5 2.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.044 -0.526 . . . . 39.759999999999998 111.028 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 15.2 t . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.195 -0.907 . . . . 48.670000000000002 110.966 179.984 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 120.759 0.314 . . . . 43.979999999999997 111.214 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 53' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 62.37 92.34 0.06 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.181 -0.463 . . . . 41.109999999999999 110.933 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 54' ' ' ASP . . . . . 0.431 ' O ' ' CB ' ' C' ' 58' ' ' LEU . 17.8 t0 -71.14 -31.49 67.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.261 -0.427 . . . . 38.729999999999997 110.765 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 55' ' ' ALA . . . . . 0.411 ' O ' ' CB ' ' C' ' 59' ' ' ALA . . . -63.81 -33.88 76.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.886 0.374 . . . . 33.899999999999999 110.809 179.802 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -66.96 -54.49 21.44 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.11 -0.496 . . . . 30.18 110.452 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 57' ' ' ARG . . . . . 0.435 ' HG3' ' N ' ' C' ' 58' ' ' LEU . 6.3 ptp180 -68.71 -41.8 78.6 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.939 -0.573 . . . . 39.100000000000001 110.359 179.534 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 58' ' ' LEU . . . . . 0.478 HD12 ' CE1' ' D' ' 78' ' ' TYR . 2.2 tm? -62.89 -48.66 78.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.699 -0.682 . . . . 27.68 110.473 179.491 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 59' ' ' ALA . . . . . 0.411 ' CB ' ' O ' ' C' ' 55' ' ' ALA . . . -58.36 -37.0 74.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.021 -0.536 . . . . 20.59 110.883 179.752 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -53.57 -51.2 63.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.074 -0.512 . . . . 20.440000000000001 110.567 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.54 -39.7 92.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.125 -0.489 . . . . 22.18 110.635 179.764 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 62' ' ' GLN . . . . . 0.422 ' HB2' ' CD1' ' D' ' 74' ' ' LEU . 78.8 mm-40 -59.24 -60.01 4.55 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.039 -0.528 . . . . 24.210000000000001 110.727 179.761 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 63' ' ' SER . . . . . . . . . . . . . 10.5 p -58.41 -30.14 66.63 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.125 -0.489 . . . . 18.210000000000001 110.496 179.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -59.03 -55.65 32.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.061 -0.518 . . . . 25.68 110.568 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 65' ' ' LEU . . . . . . . . . . . . . 8.3 mt -54.32 -40.27 67.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.146 -0.479 . . . . 19.16 110.441 179.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 66' ' ' VAL . . . . . . . . . . . . . 54.1 t -64.87 -50.48 74.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.095 -0.502 . . . . 15.720000000000001 110.724 179.56 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 67' ' ' LYS . . . . . . . . . . . . . 24.3 tttt -59.14 -47.36 85.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.068 -0.514 . . . . 10.66 110.507 179.677 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 68' ' ' LYS . . . . . . . . . . . . . 22.4 ttpt -58.53 -38.04 76.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 14.550000000000001 110.575 179.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 69' ' ' MET . . . . . . . . . . . . . 29.7 ttp -64.14 -38.46 91.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 9.4700000000000006 110.57 179.647 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 72.7 t -74.64 -40.86 48.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.994 -0.548 . . . . 10.550000000000001 110.96 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 71' ' ' PHE . . . . . 0.478 ' CZ ' ' HD3' ' C' ' 75' ' ' LYS . 15.6 t80 -51.69 -64.44 0.81 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.403 -0.362 . . . . 14.51 110.695 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -50.92 -40.81 58.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.866 0.365 . . . . 13.07 110.576 179.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 73' ' ' THR . . . . . . . . . . . . . 21.7 m -65.6 -71.09 0.2 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 11.48 110.347 179.644 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 74' ' ' LEU . . . . . 0.438 ' CD1' ' HB3' ' D' ' 62' ' ' GLN . 18.0 mt -51.77 -34.65 40.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 14.82 111.048 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 75' ' ' LYS . . . . . 0.478 ' HD3' ' CZ ' ' C' ' 71' ' ' PHE . 6.1 tttp -55.6 -63.93 1.01 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.222 -0.444 . . . . 14.0 110.191 179.532 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 76' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -67.07 -35.32 79.58 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.643 -0.708 . . . . 17.629999999999999 110.859 179.667 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 1.3 tp -61.51 -58.88 6.38 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.26 -0.427 . . . . 21.34 110.736 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 78' ' ' TYR . . . . . . . . . . . . . 21.9 m-30 -60.16 -29.01 68.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 26.870000000000001 110.621 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 25.8 mttt -67.9 -28.4 67.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 27.300000000000001 110.679 179.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 4.8 tttt -65.34 -46.64 79.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.074 -0.512 . . . . 27.989999999999998 110.936 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 81' ' ' THR . . . . . . . . . . . . . 74.8 p -51.05 -78.51 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.057 -0.519 . . . . 34.530000000000001 110.953 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 82' ' ' THR . . . . . . . . . . . . . 1.7 t . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.244 -0.884 . . . . 38.710000000000001 110.862 -179.972 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' 52' ' ' ARG . . . . . . . . . . . . . 27.9 mmt180 . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.774 0.321 . . . . 45.07 111.196 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -113.27 23.97 12.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.443 . . . . 38.479999999999997 110.988 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -67.11 -24.77 65.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 33.640000000000001 110.837 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.37 -45.26 80.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 31.02 111.144 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -61.19 -47.69 84.97 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.243 -0.435 . . . . 32.079999999999998 110.836 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 57' ' ' ARG . . . . . . . . . . . . . 10.1 mmm180 -59.1 -40.55 85.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 27.07 110.815 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 58' ' ' LEU . . . . . 0.401 ' HB3' HG23 ' B' ' 73' ' ' THR . 91.6 mt -61.5 -57.2 13.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.062 -0.517 . . . . 22.870000000000001 110.923 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 59' ' ' ALA . . . . . . . . . . . . . . . -47.76 -31.46 4.86 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.968 -0.56 . . . . 21.600000000000001 111.091 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 60' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -76.41 -53.61 7.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.997 -0.547 . . . . 17.27 110.723 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 61' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -60.49 -34.31 73.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.098 -0.501 . . . . 12.81 110.767 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 62' ' ' GLN . . . . . 0.438 ' HB3' ' CD1' ' C' ' 74' ' ' LEU . 0.1 OUTLIER -76.99 -45.63 26.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 10.92 110.927 179.867 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' D' D ' 63' ' ' SER . . . . . . . . . . . . . 72.4 p -62.52 -52.52 63.13 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.361 -0.382 . . . . 16.670000000000002 110.666 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 64' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -54.2 -37.78 64.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 17.039999999999999 110.62 179.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 65' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.43 -41.69 97.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.006 -0.543 . . . . 11.640000000000001 110.679 179.753 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 66' ' ' VAL . . . . . . . . . . . . . 3.4 t -62.17 -38.31 80.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.253 -0.43 . . . . 8.6699999999999999 111.066 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 67' ' ' LYS . . . . . . . . . . . . . 1.9 ttpm? -57.16 -59.91 4.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.086 -0.506 . . . . 14.779999999999999 110.866 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 68' ' ' LYS . . . . . . . . . . . . . 2.3 mtmp? -53.44 -34.48 58.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 9.9900000000000002 110.808 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 69' ' ' MET . . . . . . . . . . . . . 24.9 ttp -67.06 -49.41 65.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 11.02 110.722 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 70' ' ' VAL . . . . . . . . . . . . . 92.1 t -73.83 -27.9 23.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.006 -0.543 . . . . 10.91 111.107 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 36.9 t80 -63.05 -42.36 99.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.279 -0.419 . . . . 18.27 110.722 179.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -64.53 -51.54 62.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 23.84 110.784 179.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 73' ' ' THR . . . . . . . . . . . . . 53.6 m -55.77 -49.62 72.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 24.02 110.887 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 74' ' ' LEU . . . . . 0.422 ' CD1' ' HB2' ' C' ' 62' ' ' GLN . 19.4 mt -56.06 -43.9 78.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 27.43 110.94 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 75' ' ' LYS . . . . . . . . . . . . . 3.0 ttpt -49.79 -44.89 49.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.286 -0.415 . . . . 28.859999999999999 110.777 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 76' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -73.92 -36.66 64.72 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.013 -0.54 . . . . 28.920000000000002 110.479 179.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 77' ' ' LEU . . . . . . . . . . . . . 11.5 mt -54.97 -47.89 73.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.055 -0.521 . . . . 29.079999999999998 110.809 179.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 78' ' ' TYR . . . . . 0.478 ' CE1' HD12 ' C' ' 58' ' ' LEU . 2.6 m-85 -74.29 -46.24 42.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.965 -0.562 . . . . 34.590000000000003 111.005 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 79' ' ' LYS . . . . . . . . . . . . . 4.0 mtmt -51.18 -31.1 18.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.306 -0.406 . . . . 44.630000000000003 110.855 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 80' ' ' LYS . . . . . . . . . . . . . 8.2 mmtt -72.98 -40.23 65.44 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.204 -0.453 . . . . 42.810000000000002 110.576 179.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 81' ' ' THR . . . . . . . . . . . . . 1.3 p -85.44 51.65 2.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.061 -0.518 . . . . 41.359999999999999 111.056 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 82' ' ' THR . . . . . . . . . . . . . 15.2 t . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.286 -0.864 . . . . 51.700000000000003 110.938 -179.967 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 11.0 mtt180 . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.836 0.351 . . . . 45.409999999999997 111.124 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 16.9 t30 -178.27 88.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 42.030000000000001 110.866 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -50.45 -30.79 13.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 41.270000000000003 110.82 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.62 -41.32 94.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.412 -0.358 . . . . 35.469999999999999 110.625 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -67.62 -52.76 34.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 31.219999999999999 110.283 179.56 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 3.6 ttp180 -59.46 -45.95 90.16 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.819 -0.628 . . . . 39.969999999999999 110.28 179.507 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 18.5 mt -55.43 -45.01 76.79 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.811 -0.631 . . . . 30.129999999999999 110.494 179.615 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -52.2 -39.7 60.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.049 -0.523 . . . . 20.98 110.813 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -68.65 -36.31 78.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 19.02 110.668 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.45 -52.19 54.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.122 -0.49 . . . . 20.91 110.789 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -57.87 -47.06 83.84 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.075 -0.511 . . . . 23.850000000000001 110.373 179.688 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 7.3 p -56.64 -35.79 68.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.019 -0.537 . . . . 19.289999999999999 110.664 179.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -63.42 -37.75 88.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.085 -0.507 . . . . 26.829999999999998 110.798 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 7.0 mt -67.31 -35.35 79.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.491 . . . . 20.620000000000001 110.581 179.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.405 ' HA ' ' HG2' ' A' ' 69' ' ' MET . 60.5 t -80.65 -33.46 13.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.125 -0.489 . . . . 15.92 111.053 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.3 tttt -76.49 -30.55 57.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 9.8300000000000001 110.523 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.413 ' HG3' ' N ' ' A' ' 69' ' ' MET . 0.4 OUTLIER -75.82 -39.75 56.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.063 -0.517 . . . . 15.220000000000001 110.437 179.569 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.413 ' N ' ' HG3' ' A' ' 68' ' ' LYS . 13.9 ptt? -66.56 -32.2 73.39 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.092 -0.504 . . . . 10.41 110.732 179.769 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 53.5 t -73.65 -44.13 53.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.078 -0.51 . . . . 9.7200000000000006 110.756 179.649 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.427 ' O ' ' CB ' ' A' ' 75' ' ' LYS . 10.7 t80 -50.72 -58.0 6.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.428 -0.351 . . . . 17.559999999999999 110.61 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -51.84 -44.27 63.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.369 -0.378 . . . . 14.359999999999999 110.467 179.648 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.8 m -64.88 -70.44 0.23 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.032 -0.531 . . . . 10.0 110.441 179.557 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.451 ' CD1' ' HB3' ' B' ' 62' ' ' GLN . 14.4 mt -50.05 -36.7 30.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.463 . . . . 14.33 111.053 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.427 ' CB ' ' O ' ' A' ' 71' ' ' PHE . 3.5 tttp -54.63 -69.15 0.14 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.095 -0.502 . . . . 15.06 110.28 179.528 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.33 -30.69 71.35 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.715 -0.675 . . . . 18.219999999999999 110.831 179.611 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.411 ' HB3' ' HA ' ' A' ' 74' ' ' LEU . 0.9 OUTLIER -64.68 -65.66 0.65 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.383 -0.371 . . . . 21.309999999999999 110.747 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.474 ' CE1' HG22 ' D' ' 73' ' ' THR . 18.6 m-85 -54.73 -22.63 14.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.439 -0.346 . . . . 28.25 110.891 179.808 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 3.9 tppt? -70.57 -34.64 72.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.365 -0.379 . . . . 26.870000000000001 110.84 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 13.1 tttt -72.04 -32.45 67.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 29.16 110.89 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -55.06 -78.22 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.485 . . . . 34.880000000000003 110.894 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 10.8 t . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.226 -0.892 . . . . 40.219999999999999 110.912 179.904 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.838 0.351 . . . . 44.859999999999999 111.074 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -101.9 30.98 4.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 37.609999999999999 110.906 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -73.18 -27.83 61.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 32.539999999999999 110.989 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -53.43 -31.65 46.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.314 -0.403 . . . . 30.25 111.189 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -80.82 -41.23 23.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.448 . . . . 33.700000000000003 110.984 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 26.3 mtt180 -62.59 -31.59 72.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.446 . . . . 26.66 111.077 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . 0.477 ' CD1' ' CG2' ' D' ' 73' ' ' THR . 60.1 mt -74.11 -50.1 20.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 22.079999999999998 111.059 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.88 -40.33 60.46 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.163 -0.472 . . . . 22.170000000000002 111.108 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.34 -55.59 7.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.092 -0.504 . . . . 21.82 111.025 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -56.73 -42.17 78.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 13.81 110.936 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . 0.451 ' HB3' ' CD1' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -67.84 -39.91 83.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.19 -0.459 . . . . 11.23 111.222 -179.81 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 2.8 p -65.76 -57.18 8.59 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.487 -0.324 . . . . 17.109999999999999 110.909 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . 0.411 ' HG3' ' N ' ' B' ' 65' ' ' LEU . 8.1 pt-20 -48.47 -32.97 8.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.315 -0.402 . . . . 17.309999999999999 110.935 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . 0.411 ' N ' ' HG3' ' B' ' 64' ' ' GLU . 0.0 OUTLIER -65.96 -44.99 83.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.04 -0.527 . . . . 11.890000000000001 110.624 179.841 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 19.8 t -57.73 -37.49 59.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.31 -0.404 . . . . 9.0500000000000007 110.766 179.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 75.1 tttt -60.12 -55.5 33.09 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.004 -0.544 . . . . 12.76 110.698 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 23.9 mttt -56.44 -32.53 64.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 11.18 110.721 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 69' ' ' MET . . . . . . . . . . . . . 41.1 ttp -71.22 -50.92 27.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 11.23 110.784 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 60.8 t -75.08 -22.3 16.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 11.17 111.15 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -63.29 -46.38 87.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.871 0.367 . . . . 17.879999999999999 110.54 179.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.47 -46.11 77.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.116 -0.493 . . . . 24.379999999999999 110.586 179.762 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 73' ' ' THR . . . . . 0.471 ' CG2' ' CD1' ' D' ' 58' ' ' LEU . 87.1 m -52.07 -53.13 45.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.093 -0.503 . . . . 24.73 110.856 179.804 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 46.5 mt -54.3 -42.68 70.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 27.140000000000001 111.088 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.96 -46.95 52.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.32 -0.4 . . . . 28.359999999999999 110.844 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 76' ' ' ASP . . . . . 0.431 ' HA ' ' CG ' ' B' ' 79' ' ' LYS . 63.3 m-20 -72.31 -30.52 64.86 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.946 -0.57 . . . . 28.23 110.677 179.626 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 20.1 mt -65.56 -37.38 86.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.929 -0.578 . . . . 29.43 110.966 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -84.97 -61.34 1.8 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.446 . . . . 33.950000000000003 111.164 -179.688 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 79' ' ' LYS . . . . . 0.431 ' CG ' ' HA ' ' B' ' 76' ' ' ASP . 0.0 OUTLIER -45.8 -37.91 6.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.207 -0.451 . . . . 44.740000000000002 111.285 -179.834 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.4 -58.62 4.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.306 -0.406 . . . . 41.979999999999997 110.829 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 8.8 t -79.54 58.31 2.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 40.659999999999997 110.844 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 14.7 t . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.222 -0.894 . . . . 50.310000000000002 110.881 -179.907 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 52' ' ' ARG . . . . . . . . . . . . . 10.9 mtt180 . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.829 0.347 . . . . 47.369999999999997 111.251 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 53' ' ' ASN . . . . . . . . . . . . . 16.9 t30 -178.37 88.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 36.609999999999999 110.904 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -50.4 -30.99 13.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 38.0 110.833 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 55' ' ' ALA . . . . . 0.404 ' HB3' ' CB ' ' D' ' 78' ' ' TYR . . . -60.39 -41.3 93.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.892 0.377 . . . . 31.41 110.71 179.693 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -67.72 -52.6 35.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 27.949999999999999 110.435 179.476 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 57' ' ' ARG . . . . . . . . . . . . . 3.6 ttp180 -59.56 -46.19 89.63 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.86 -0.609 . . . . 27.120000000000001 110.242 179.474 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 18.7 mt -54.98 -45.25 74.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.718 -0.674 . . . . 28.34 110.552 179.595 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 59' ' ' ALA . . . . . 0.401 ' HA ' ' CD1' ' D' ' 74' ' ' LEU . . . -52.08 -39.67 60.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.988 -0.551 . . . . 25.449999999999999 110.851 179.74 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -68.66 -36.35 78.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 27.140000000000001 110.658 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.33 -52.25 55.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.069 -0.514 . . . . 27.199999999999999 110.817 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -57.83 -47.07 83.7 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.025 -0.534 . . . . 20.530000000000001 110.483 179.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 63' ' ' SER . . . . . . . . . . . . . 8.4 p -56.6 -35.87 68.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.937 -0.574 . . . . 16.41 110.616 179.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -63.48 -37.68 88.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.484 . . . . 18.859999999999999 110.699 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 65' ' ' LEU . . . . . . . . . . . . . 6.9 mt -67.26 -35.47 79.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 17.399999999999999 110.552 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 66' ' ' VAL . . . . . 0.404 ' HA ' ' HG2' ' C' ' 69' ' ' MET . 61.0 t -80.5 -33.46 13.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.066 -0.516 . . . . 10.529999999999999 111.047 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 67' ' ' LYS . . . . . . . . . . . . . 4.3 tttt -76.31 -30.95 57.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 20.5 110.531 179.724 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 68' ' ' LYS . . . . . 0.411 ' HG3' ' N ' ' C' ' 69' ' ' MET . 0.4 OUTLIER -75.46 -39.92 58.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 20.039999999999999 110.38 179.585 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' C' C ' 69' ' ' MET . . . . . 0.411 ' N ' ' HG3' ' C' ' 68' ' ' LYS . 14.2 ptt? -66.5 -32.03 73.13 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.466 . . . . 8.5299999999999994 110.733 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 51.7 t -73.83 -43.79 52.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 4.75 110.743 179.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 71' ' ' PHE . . . . . 0.438 ' O ' ' CB ' ' C' ' 75' ' ' LYS . 10.8 t80 -51.06 -57.86 7.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.408 -0.36 . . . . 14.94 110.702 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -51.9 -44.37 63.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.869 0.366 . . . . 9.3100000000000005 110.417 179.654 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 73' ' ' THR . . . . . . . . . . . . . 19.1 m -64.84 -70.58 0.22 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.018 -0.537 . . . . 13.33 110.342 179.61 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 74' ' ' LEU . . . . . 0.443 ' CD1' ' HB3' ' D' ' 62' ' ' GLN . 14.4 mt -49.8 -36.87 27.82 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.24 -0.436 . . . . 20.010000000000002 111.052 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 75' ' ' LYS . . . . . 0.438 ' CB ' ' O ' ' C' ' 71' ' ' PHE . 3.5 tttp -54.48 -69.2 0.13 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.045 -0.525 . . . . 23.57 110.301 179.514 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 76' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.4 -30.61 71.33 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.757 -0.656 . . . . 15.44 110.887 179.677 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.71 -65.44 0.67 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.317 -0.401 . . . . 21.02 110.699 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 78' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -54.81 -23.0 16.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 25.899999999999999 110.926 179.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 3.9 tppt? -70.29 -34.73 73.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.29 -0.414 . . . . 28.989999999999998 110.898 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 13.1 tttt -71.97 -32.58 67.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 30.120000000000001 110.931 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -55.06 -78.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 34.130000000000003 110.886 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 82' ' ' THR . . . . . . . . . . . . . 10.6 t . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.181 -0.914 . . . . 42.170000000000002 110.873 -179.978 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' D' D ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.842 0.353 . . . . 42.920000000000002 111.109 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -101.8 30.64 4.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 40.049999999999997 110.985 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -72.92 -28.0 62.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 34.100000000000001 110.971 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 55' ' ' ALA . . . . . . . . . . . . . . . -53.37 -31.59 45.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 34.590000000000003 111.173 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -80.79 -41.36 23.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.431 . . . . 30.850000000000001 110.992 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 57' ' ' ARG . . . . . . . . . . . . . 25.6 mtt180 -62.45 -31.62 72.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.23 -0.441 . . . . 27.059999999999999 111.199 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 58' ' ' LEU . . . . . 0.471 ' CD1' ' CG2' ' B' ' 73' ' ' THR . 60.2 mt -74.05 -50.23 20.62 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.319 -0.401 . . . . 19.43 110.992 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.73 -40.32 60.02 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.138 -0.483 . . . . 18.370000000000001 111.021 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.5 -55.67 7.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.481 . . . . 23.469999999999999 110.895 -179.838 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 61' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -56.57 -42.31 78.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.094 -0.503 . . . . 16.260000000000002 110.971 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 62' ' ' GLN . . . . . 0.443 ' HB3' ' CD1' ' C' ' 74' ' ' LEU . 0.0 OUTLIER -67.68 -40.03 84.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 15.9 111.264 -179.862 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' D' D ' 63' ' ' SER . . . . . . . . . . . . . 2.9 p -65.55 -57.14 8.91 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.769 0.318 . . . . 14.73 110.982 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 64' ' ' GLU . . . . . 0.402 ' HG3' ' N ' ' D' ' 65' ' ' LEU . 8.1 pt-20 -48.64 -33.09 9.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.34 -0.391 . . . . 9.9800000000000004 110.832 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 65' ' ' LEU . . . . . 0.402 ' N ' ' HG3' ' D' ' 64' ' ' GLU . 0.0 OUTLIER -65.69 -45.3 83.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.034 -0.53 . . . . 6.6399999999999997 110.651 179.765 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' D' D ' 66' ' ' VAL . . . . . . . . . . . . . 20.8 t -57.64 -36.95 56.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.294 -0.412 . . . . 8.8599999999999994 110.853 179.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 67' ' ' LYS . . . . . 0.404 ' O ' ' N ' ' D' ' 71' ' ' PHE . 74.5 tttt -60.66 -55.4 33.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.004 -0.544 . . . . 20.199999999999999 110.786 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 68' ' ' LYS . . . . . . . . . . . . . 23.8 mttt -56.37 -32.66 64.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 17.059999999999999 110.729 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 69' ' ' MET . . . . . . . . . . . . . 40.1 ttp -71.1 -51.14 26.81 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.094 -0.503 . . . . 12.869999999999999 110.803 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 70' ' ' VAL . . . . . . . . . . . . . 59.4 t -74.88 -22.24 17.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 15.449999999999999 111.132 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 71' ' ' PHE . . . . . 0.404 ' N ' ' O ' ' D' ' 67' ' ' LYS . 12.3 t80 -63.33 -46.11 88.18 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.296 -0.411 . . . . 26.239999999999998 110.705 179.757 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -66.78 -45.86 77.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.072 -0.513 . . . . 28.329999999999998 110.582 179.722 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 73' ' ' THR . . . . . 0.477 ' CG2' ' CD1' ' B' ' 58' ' ' LEU . 85.9 m -52.2 -52.95 49.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 20.879999999999999 110.869 179.823 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 74' ' ' LEU . . . . . 0.401 ' CD1' ' HA ' ' C' ' 59' ' ' ALA . 47.8 mt -54.43 -42.95 71.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.484 . . . . 21.559999999999999 111.119 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.57 -46.84 49.43 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.323 -0.399 . . . . 28.300000000000001 110.842 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 76' ' ' ASP . . . . . 0.428 ' HA ' ' CG ' ' D' ' 79' ' ' LYS . 63.4 m-20 -72.47 -30.31 64.44 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.006 -0.543 . . . . 30.969999999999999 110.682 179.642 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 77' ' ' LEU . . . . . . . . . . . . . 20.0 mt -65.91 -37.31 85.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.94 -0.573 . . . . 30.41 110.931 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 78' ' ' TYR . . . . . 0.404 ' CB ' ' HB3' ' C' ' 55' ' ' ALA . 15.2 m-85 -84.96 -61.18 1.84 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 33.649999999999999 111.176 -179.782 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 79' ' ' LYS . . . . . 0.428 ' CG ' ' HA ' ' D' ' 76' ' ' ASP . 0.0 OUTLIER -45.87 -37.88 6.76 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.183 -0.462 . . . . 41.229999999999997 111.351 -179.816 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' D' D ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.57 -58.48 5.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.286 -0.416 . . . . 45.399999999999999 110.867 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 81' ' ' THR . . . . . . . . . . . . . 8.8 t -79.49 58.04 2.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.431 . . . . 41.259999999999998 110.894 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 82' ' ' THR . . . . . . . . . . . . . 14.6 t . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.321 -0.847 . . . . 48.57 110.856 -179.957 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 24.2 ttm180 . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.818 0.342 . . . . 44.140000000000001 111.137 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 60.38 104.95 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 41.799999999999997 110.984 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -78.9 -31.94 45.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 39.390000000000001 110.673 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.58 -35.42 77.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.212 -0.449 . . . . 34.579999999999998 110.843 179.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -73.02 -52.47 14.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.065 -0.516 . . . . 30.530000000000001 110.405 179.642 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.3 mtm105 -63.39 -39.14 93.71 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.936 -0.574 . . . . 37.950000000000003 110.373 179.525 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 11.9 mt -59.93 -51.37 69.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.906 -0.588 . . . . 28.5 110.638 179.528 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -50.18 -36.02 28.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.1 -0.5 . . . . 20.039999999999999 110.885 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -67.99 -29.85 68.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.081 -0.509 . . . . 19.579999999999998 110.624 179.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -74.88 -50.73 15.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.058 -0.519 . . . . 21.260000000000002 110.771 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.443 ' HB2' ' CD1' ' B' ' 74' ' ' LEU . 64.7 mm-40 -53.89 -53.99 44.92 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.93 -0.577 . . . . 24.670000000000002 110.755 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.2 m -58.42 -39.0 78.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 17.109999999999999 110.622 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.53 -26.82 55.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 26.350000000000001 110.523 179.791 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.9 mt -79.83 -32.31 40.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 19.34 110.462 179.712 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.4 t -78.84 -38.03 20.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.857 -0.61 . . . . 15.66 110.947 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.406 ' HG3' ' N ' ' A' ' 68' ' ' LYS . 2.1 ptmm? -62.7 -46.71 86.87 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.228 -0.442 . . . . 12.289999999999999 110.644 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.406 ' N ' ' HG3' ' A' ' 67' ' ' LYS . 1.6 mppt? -60.1 -42.51 94.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 13.85 110.446 179.575 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 24.2 ttp -59.45 -37.89 79.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.033 -0.53 . . . . 9.4600000000000009 110.449 179.576 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 77.2 t -73.78 -42.51 54.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.01 -0.541 . . . . 11.44 110.76 179.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.434 ' O ' ' CB ' ' A' ' 75' ' ' LYS . 39.1 t80 -52.03 -59.76 3.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.424 -0.353 . . . . 15.91 110.44 179.771 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -53.53 -44.15 68.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.919 0.39 . . . . 12.800000000000001 110.377 179.698 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 20.0 m -63.6 -70.24 0.23 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.096 -0.502 . . . . 11.470000000000001 110.167 179.499 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.443 ' CD1' ' HB3' ' B' ' 62' ' ' GLN . 14.5 mt -50.25 -36.3 30.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.064 -0.516 . . . . 14.949999999999999 110.861 179.728 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.434 ' CB ' ' O ' ' A' ' 71' ' ' PHE . 17.4 ttpp -54.95 -69.32 0.13 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.107 0.48 . . . . 14.16 110.118 179.572 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.32 -31.03 71.6 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.684 -0.689 . . . . 17.68 110.716 179.656 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.424 ' HB3' ' HA ' ' A' ' 74' ' ' LEU . 0.8 OUTLIER -64.06 -63.39 1.16 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.407 -0.361 . . . . 21.43 110.541 179.881 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 22.1 m-30 -55.34 -32.13 62.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.288 -0.415 . . . . 27.140000000000001 110.578 179.651 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.3 tptm -65.26 -28.95 69.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.097 -0.501 . . . . 28.260000000000002 110.527 179.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.61 -37.84 85.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.03 -0.532 . . . . 28.059999999999999 110.721 179.831 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 21.9 p -63.84 -57.89 8.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.912 -0.585 . . . . 34.740000000000002 110.908 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 81.2 p . . . . . 0 C--O 1.248 0.98 0 CA-C-O 118.222 -0.894 . . . . 38.950000000000003 110.994 179.96 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 6.3 mpt_? . . . . . 0 N--CA 1.487 1.41 0 CA-C-O 120.782 0.325 . . . . 44.299999999999997 111.27 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -96.14 21.0 9.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 39.030000000000001 110.969 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -63.62 -22.14 66.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.454 -0.339 . . . . 33.740000000000002 110.945 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.74 -49.44 76.57 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.266 -0.424 . . . . 31.09 111.131 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -58.56 -46.47 86.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 33.240000000000002 110.849 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 74.2 mtt180 -60.96 -33.5 73.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 30.140000000000001 110.656 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 61.7 mt -70.18 -54.51 12.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.088 -0.505 . . . . 22.850000000000001 110.87 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.25 -30.53 17.95 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.914 -0.584 . . . . 21.550000000000001 111.153 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -71.3 -62.74 1.29 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 18.129999999999999 110.962 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -56.62 -36.07 69.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.299 -0.41 . . . . 12.800000000000001 110.684 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . 0.443 ' HB3' ' CD1' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -70.39 -42.3 71.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 10.84 110.824 179.693 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 8.5 p -65.63 -56.41 12.35 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.277 -0.42 . . . . 17.449999999999999 110.833 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 19.1 pt-20 -49.34 -37.13 23.45 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.28 -0.418 . . . . 17.27 110.675 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.72 -41.3 97.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.491 . . . . 12.09 110.717 179.753 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 25.7 t -62.67 -36.48 75.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 9.4600000000000009 110.796 179.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 1.2 tttt -61.59 -53.35 57.47 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.058 -0.519 . . . . 15.59 110.633 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 21.8 ttmt -54.86 -36.84 65.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 10.57 110.626 179.663 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 69' ' ' MET . . . . . . . . . . . . . 33.3 ttp -66.05 -52.8 45.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.014 -0.539 . . . . 11.109999999999999 110.563 179.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 81.1 t -69.45 -26.93 32.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.082 -0.508 . . . . 10.9 110.765 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 33.0 t80 -57.33 -43.49 83.43 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.149 -0.478 . . . . 18.120000000000001 110.547 179.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -67.55 -50.15 59.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 24.27 110.603 179.656 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 73' ' ' THR . . . . . . . . . . . . . 52.4 m -50.26 -59.02 4.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 23.719999999999999 110.784 179.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 74' ' ' LEU . . . . . 0.443 ' CD1' ' HB2' ' A' ' 62' ' ' GLN . 23.5 mt -50.36 -39.32 46.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 27.140000000000001 110.966 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 4.1 tttt -49.2 -46.83 46.25 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.274 -0.421 . . . . 29.140000000000001 110.892 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -75.71 -26.36 57.45 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.948 -0.569 . . . . 28.289999999999999 110.78 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 43.3 mt -69.01 -49.56 56.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.082 -0.508 . . . . 29.010000000000002 110.968 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -73.7 -27.63 61.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 33.600000000000001 111.01 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.81 -48.53 77.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.228 -0.442 . . . . 43.590000000000003 110.877 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 1.1 mtpp -54.4 -65.85 0.5 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 41.539999999999999 110.79 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 4.0 t -74.25 70.28 1.63 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 39.859999999999999 110.9 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 9.1 t . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.254 -0.879 . . . . 49.909999999999997 110.871 -179.999 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 52' ' ' ARG . . . . . . . . . . . . . 24.1 ttm180 . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.811 0.338 . . . . 46.259999999999998 111.191 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 60.4 105.05 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.123 -0.49 . . . . 36.369999999999997 110.981 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 30.9 t0 -78.97 -31.73 45.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 37.909999999999997 110.704 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.95 -35.18 77.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.435 . . . . 30.66 110.809 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -73.26 -52.44 14.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 27.300000000000001 110.391 179.586 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 57' ' ' ARG . . . . . . . . . . . . . 8.4 mtm105 -63.23 -39.31 94.26 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.938 -0.574 . . . . 27.379999999999999 110.361 179.46 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 11.9 mt -59.94 -51.45 69.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.871 -0.604 . . . . 30.02 110.631 179.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -50.14 -35.94 27.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 25.649999999999999 110.9 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -67.87 -30.01 69.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.088 -0.506 . . . . 26.079999999999998 110.611 179.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -74.81 -50.48 17.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.002 -0.545 . . . . 27.210000000000001 110.817 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 64.4 mm-40 -54.11 -53.89 47.11 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.005 -0.543 . . . . 19.84 110.716 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 63' ' ' SER . . . . . . . . . . . . . 1.2 m -58.53 -38.81 78.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 16.030000000000001 110.732 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.74 -26.79 58.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.122 -0.49 . . . . 17.02 110.542 179.8 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 65' ' ' LEU . . . . . . . . . . . . . 4.9 mt -79.8 -32.65 40.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.072 -0.513 . . . . 18.399999999999999 110.366 179.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 66' ' ' VAL . . . . . . . . . . . . . 21.4 t -78.42 -38.26 22.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.943 -0.572 . . . . 9.8000000000000007 110.982 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 67' ' ' LYS . . . . . 0.406 ' HG3' ' N ' ' C' ' 68' ' ' LYS . 2.2 ptmm? -62.43 -46.82 86.81 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.238 -0.437 . . . . 19.59 110.72 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 68' ' ' LYS . . . . . 0.406 ' N ' ' HG3' ' C' ' 67' ' ' LYS . 1.6 mppt? -60.09 -42.46 94.69 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.181 -0.463 . . . . 22.960000000000001 110.402 179.607 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 69' ' ' MET . . . . . . . . . . . . . 24.0 ttp -59.46 -37.79 79.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.958 -0.565 . . . . 8.9199999999999999 110.442 179.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 74.0 t -73.97 -42.39 52.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.031 -0.531 . . . . 5.8200000000000003 110.815 179.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 71' ' ' PHE . . . . . 0.428 ' O ' ' CB ' ' C' ' 75' ' ' LYS . 39.0 t80 -52.13 -59.79 3.96 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.402 -0.363 . . . . 18.390000000000001 110.444 179.742 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -53.48 -44.18 68.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.926 0.393 . . . . 9.6999999999999993 110.367 179.721 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 73' ' ' THR . . . . . . . . . . . . . 19.9 m -63.63 -70.22 0.23 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.049 -0.523 . . . . 12.050000000000001 110.183 179.443 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 74' ' ' LEU . . . . . 0.44 ' CD1' ' HB3' ' D' ' 62' ' ' GLN . 14.8 mt -50.21 -36.34 30.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.08 -0.509 . . . . 19.48 110.95 179.725 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 75' ' ' LYS . . . . . 0.428 ' CB ' ' O ' ' C' ' 71' ' ' PHE . 17.4 ttpp -54.82 -69.57 0.13 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.069 -0.514 . . . . 21.109999999999999 110.136 179.462 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 76' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.17 -30.91 71.39 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.632 -0.713 . . . . 16.079999999999998 110.794 179.654 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 77' ' ' LEU . . . . . 0.406 ' HB3' ' HA ' ' C' ' 74' ' ' LEU . 0.8 OUTLIER -64.23 -63.22 1.2 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.336 -0.393 . . . . 20.780000000000001 110.593 179.858 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' C' C ' 78' ' ' TYR . . . . . . . . . . . . . 22.0 m-30 -55.54 -32.08 62.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.31 -0.404 . . . . 25.940000000000001 110.555 179.646 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 1.3 tptm -65.23 -28.86 69.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.088 -0.506 . . . . 27.98 110.576 179.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.59 -38.1 86.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.03 -0.532 . . . . 30.329999999999998 110.598 179.76 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 81' ' ' THR . . . . . . . . . . . . . 21.8 p -63.66 -57.93 8.5 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.983 -0.553 . . . . 34.299999999999997 110.899 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 82' ' ' THR . . . . . . . . . . . . . 80.8 p . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.23 -0.89 . . . . 41.259999999999998 110.984 179.994 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' D' D ' 52' ' ' ARG . . . . . . . . . . . . . 6.3 mpt_? . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.753 0.311 . . . . 43.350000000000001 111.284 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' D' D ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -95.88 20.77 9.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 41.090000000000003 111.072 179.813 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -63.58 -21.95 66.63 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.41 -0.359 . . . . 34.789999999999999 110.94 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.9 -49.36 77.0 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.322 -0.399 . . . . 34.539999999999999 111.166 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -58.55 -46.32 87.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 31.670000000000002 110.832 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 57' ' ' ARG . . . . . . . . . . . . . 73.8 mtt180 -61.23 -33.35 73.36 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.292 -0.413 . . . . 27.07 110.655 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 58' ' ' LEU . . . . . . . . . . . . . 62.3 mt -70.33 -54.21 13.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.148 -0.478 . . . . 19.77 110.939 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.51 -30.51 20.56 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.939 -0.573 . . . . 18.940000000000001 111.133 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 60' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -71.28 -62.9 1.23 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.195 -0.457 . . . . 23.969999999999999 110.898 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 61' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -56.55 -35.99 68.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.306 -0.406 . . . . 17.289999999999999 110.663 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 62' ' ' GLN . . . . . 0.44 ' HB3' ' CD1' ' C' ' 74' ' ' LEU . 0.0 OUTLIER -70.57 -42.16 71.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.144 -0.48 . . . . 16.300000000000001 110.851 179.802 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' D' D ' 63' ' ' SER . . . . . . . . . . . . . 8.7 p -65.77 -56.05 14.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.25 -0.432 . . . . 14.609999999999999 110.794 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 64' ' ' GLU . . . . . . . . . . . . . 19.1 pt-20 -49.52 -37.02 25.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.292 -0.413 . . . . 9.8399999999999999 110.779 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 65' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.69 -41.62 97.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.038 -0.528 . . . . 6.5899999999999999 110.63 179.716 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 66' ' ' VAL . . . . . . . . . . . . . 25.3 t -62.46 -36.48 75.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 7.9800000000000004 110.838 179.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 67' ' ' LYS . . . . . . . . . . . . . 1.2 tttt -61.63 -53.13 60.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.048 -0.524 . . . . 16.969999999999999 110.684 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 68' ' ' LYS . . . . . . . . . . . . . 21.8 ttmt -55.07 -36.82 66.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 18.809999999999999 110.574 179.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 69' ' ' MET . . . . . . . . . . . . . 33.5 ttp -66.14 -52.61 46.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.041 -0.527 . . . . 13.09 110.67 179.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 70' ' ' VAL . . . . . . . . . . . . . 86.3 t -69.74 -26.65 31.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.081 -0.509 . . . . 15.48 110.801 179.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 32.7 t80 -57.53 -43.55 84.43 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.107 -0.497 . . . . 26.449999999999999 110.553 179.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -67.53 -49.94 61.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 28.469999999999999 110.534 179.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 73' ' ' THR . . . . . . . . . . . . . 55.3 m -50.51 -58.72 5.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.115 -0.493 . . . . 21.82 110.789 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 74' ' ' LEU . . . . . . . . . . . . . 24.9 mt -50.73 -39.08 50.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.473 . . . . 21.0 110.915 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 75' ' ' LYS . . . . . . . . . . . . . 4.0 tttt -49.39 -46.91 47.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 27.09 110.836 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 76' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -75.58 -26.48 57.95 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.012 -0.54 . . . . 31.129999999999999 110.769 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 77' ' ' LEU . . . . . . . . . . . . . 42.7 mt -68.89 -49.57 57.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.066 -0.515 . . . . 30.390000000000001 110.99 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 78' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -73.63 -27.7 61.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.262 -0.426 . . . . 32.549999999999997 111.096 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.77 -48.36 78.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.44 . . . . 40.270000000000003 110.974 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 80' ' ' LYS . . . . . . . . . . . . . 1.1 mtpp -54.59 -65.68 0.53 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 40.719999999999999 110.775 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 81' ' ' THR . . . . . . . . . . . . . 3.9 t -74.34 70.24 1.67 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 40.090000000000003 110.892 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 82' ' ' THR . . . . . . . . . . . . . 9.0 t . . . . . 0 C--O 1.248 1.005 0 CA-C-O 118.254 -0.879 . . . . 47.729999999999997 110.936 -179.996 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.375 0 CA-C-O 120.801 0.334 . . . . 43.149999999999999 111.178 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -130.1 122.48 28.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.246 -0.434 . . . . 39.189999999999998 111.003 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.425 ' O ' ' CB ' ' A' ' 58' ' ' LEU . 9.0 t70 -71.99 -30.07 64.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.485 . . . . 38.359999999999999 110.88 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.57 -39.83 92.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.361 -0.381 . . . . 33.780000000000001 110.791 179.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -63.96 -56.95 11.44 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.147 -0.479 . . . . 29.91 110.585 179.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.407 ' HG2' ' HA ' ' A' ' 54' ' ' ASP . 15.0 ptt180 -62.89 -43.37 98.98 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.015 -0.539 . . . . 39.390000000000001 110.074 179.366 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.425 ' CB ' ' O ' ' A' ' 54' ' ' ASP . 2.1 tm? -60.49 -53.17 60.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.661 -0.7 . . . . 26.329999999999998 110.474 179.562 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.8 -44.45 86.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.006 -0.543 . . . . 20.440000000000001 110.832 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.5 -34.37 61.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 20.75 110.582 179.799 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -70.59 -40.46 73.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.49 . . . . 22.23 110.632 179.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.431 ' HB2' ' CD1' ' B' ' 74' ' ' LEU . 0.8 OUTLIER -64.42 -42.88 95.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.037 -0.528 . . . . 25.43 110.537 179.693 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 13.5 m -59.1 -35.66 73.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.053 -0.521 . . . . 17.600000000000001 110.564 179.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.416 ' HA ' ' HG2' ' A' ' 67' ' ' LYS . 6.2 mt-10 -61.67 -49.24 77.29 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.107 -0.497 . . . . 25.030000000000001 110.493 179.636 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 5.9 mt -54.46 -32.57 57.97 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.15 -0.477 . . . . 18.469999999999999 110.181 179.506 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 38.9 t -76.16 -50.58 22.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.893 -0.594 . . . . 16.309999999999999 111.047 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.416 ' HG2' ' HA ' ' A' ' 64' ' ' GLU . 1.1 pttm -57.96 -43.55 86.52 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.325 -0.398 . . . . 14.94 110.517 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 5.4 ttpt -58.93 -39.07 80.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 14.0 110.475 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 38.2 ttp -63.54 -47.38 81.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.009 -0.541 . . . . 8.75 110.482 179.511 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 64.8 t -65.02 -34.0 67.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.981 -0.554 . . . . 11.130000000000001 110.57 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.488 ' CZ ' ' HD3' ' A' ' 75' ' ' LYS . 28.5 t80 -59.28 -60.8 3.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.334 -0.394 . . . . 13.470000000000001 110.455 179.631 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -52.79 -40.95 63.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 11.0 110.36 179.611 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 21.4 m -66.9 -70.68 0.23 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.046 -0.524 . . . . 12.119999999999999 110.37 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.413 ' HA ' ' HB3' ' A' ' 77' ' ' LEU . 13.3 mt -50.78 -37.62 43.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.095 -0.502 . . . . 15.58 110.994 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.488 ' HD3' ' CZ ' ' A' ' 71' ' ' PHE . 9.6 tttt -53.99 -69.32 0.13 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.031 0.443 . . . . 13.07 110.174 179.491 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.57 -29.69 70.19 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.687 -0.688 . . . . 16.390000000000001 110.807 179.597 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.413 ' HB3' ' HA ' ' A' ' 74' ' ' LEU . 0.6 OUTLIER -66.8 -67.48 0.45 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.196 -0.456 . . . . 20.84 110.645 -179.913 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.41 ' CZ ' HG23 ' D' ' 73' ' ' THR . 20.5 m-30 -50.7 -25.8 4.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.414 -0.357 . . . . 25.600000000000001 110.855 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.88 -38.02 87.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 27.98 110.858 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 15.4 tttt -67.32 -33.07 74.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 27.23 110.873 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -58.83 -44.88 91.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 34.740000000000002 111.136 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.2 p . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.36 -0.829 . . . . 38.420000000000002 110.814 -179.852 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.773 0.321 . . . . 46.990000000000002 111.126 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -98.61 20.18 13.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.281 -0.418 . . . . 41.0 111.217 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -62.55 -25.56 68.11 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.907 0.384 . . . . 35.310000000000002 110.723 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -54.38 -45.24 72.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.094 -0.503 . . . . 32.799999999999997 110.957 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -62.01 -56.48 18.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 32.799999999999997 110.612 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 8.3 mtm180 -53.01 -30.99 38.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 29.73 110.498 179.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 15.8 mt -68.95 -58.88 3.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.907 -0.588 . . . . 23.449999999999999 110.781 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -48.09 -34.3 9.5 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.862 -0.608 . . . . 21.219999999999999 111.036 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -63.31 -45.63 90.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.081 -0.509 . . . . 17.5 110.635 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -63.51 -33.81 76.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.229 -0.441 . . . . 12.75 110.797 179.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . 0.423 ' HB3' ' CE ' ' D' ' 69' ' ' MET . 3.5 mm-40 -74.2 -47.07 37.91 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.163 -0.471 . . . . 11.960000000000001 110.574 179.754 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -53.6 -59.11 5.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 17.48 110.657 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -51.91 -36.84 50.28 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 116.213 -0.448 . . . . 19.25 110.401 179.659 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -64.56 -51.06 64.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.963 -0.562 . . . . 11.869999999999999 110.39 179.531 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 21.4 t -58.71 -31.74 44.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.187 -0.46 . . . . 9.1199999999999992 110.731 179.497 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . 0.412 ' O ' ' N ' ' B' ' 71' ' ' PHE . 6.2 tttt -60.65 -59.14 5.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.989 -0.551 . . . . 16.829999999999998 110.975 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 1.2 ptmt -56.16 -29.87 61.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.811 0.339 . . . . 10.33 110.71 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 69' ' ' MET . . . . . 0.428 ' CE ' ' HB3' ' D' ' 62' ' ' GLN . 57.5 ttp -72.07 -50.92 24.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.132 -0.486 . . . . 10.77 110.651 179.768 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . 0.434 HG12 ' CD2' ' C' ' 74' ' ' LEU . 60.8 t -76.63 -20.52 14.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 10.880000000000001 111.161 179.823 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.412 ' N ' ' O ' ' B' ' 67' ' ' LYS . 13.2 t80 -69.15 -43.03 75.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.234 -0.439 . . . . 18.239999999999998 110.638 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -69.3 -41.09 77.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.496 . . . . 23.789999999999999 110.625 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 73' ' ' THR . . . . . 0.47 HG23 ' CZ ' ' C' ' 78' ' ' TYR . 89.2 m -52.63 -59.28 4.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 23.0 110.614 179.795 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 74' ' ' LEU . . . . . 0.431 ' CD1' ' HB2' ' A' ' 62' ' ' GLN . 55.2 mt -52.27 -35.5 50.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 27.449999999999999 110.673 179.759 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -52.34 -43.5 64.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 30.350000000000001 110.475 179.832 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 76' ' ' ASP . . . . . 0.427 ' HA ' ' CG ' ' B' ' 79' ' ' LYS . 30.2 m-20 -76.38 -29.47 57.15 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.938 -0.574 . . . . 29.379999999999999 110.597 179.642 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 20.8 mt -66.93 -37.2 83.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.993 -0.548 . . . . 28.960000000000001 110.949 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 78' ' ' TYR . . . . . 0.415 ' CE1' HD11 ' A' ' 58' ' ' LEU . 1.6 m-85 -82.44 -59.98 2.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 35.219999999999999 111.068 -179.812 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 79' ' ' LYS . . . . . 0.427 ' CG ' ' HA ' ' B' ' 76' ' ' ASP . 0.0 OUTLIER -50.89 -26.03 5.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.283 -0.417 . . . . 42.909999999999997 110.878 -179.86 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.06 -22.8 17.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.25 -0.432 . . . . 43.57 110.99 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 14.5 t -168.23 44.35 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.383 -0.371 . . . . 42.740000000000002 110.964 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 2.2 t . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.186 -0.911 . . . . 50.329999999999998 110.955 179.951 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.773 0.32 . . . . 44.380000000000003 111.206 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 53' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -130.12 122.26 27.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 35.210000000000001 110.991 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 54' ' ' ASP . . . . . 0.427 ' O ' ' CB ' ' C' ' 58' ' ' LEU . 9.1 t70 -71.79 -30.12 65.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 38.869999999999997 110.878 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.65 -39.68 92.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.315 -0.402 . . . . 30.91 110.854 179.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -63.96 -57.12 10.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 27.449999999999999 110.526 179.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 57' ' ' ARG . . . . . 0.4 ' HG2' ' HA ' ' C' ' 54' ' ' ASP . 15.0 ptt180 -62.79 -43.54 98.52 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.055 -0.521 . . . . 29.77 110.041 179.42 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 58' ' ' LEU . . . . . 0.427 ' CB ' ' O ' ' C' ' 54' ' ' ASP . 2.1 tm? -60.35 -53.05 62.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.653 -0.703 . . . . 30.170000000000002 110.526 179.523 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.6 -44.86 85.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.093 -0.503 . . . . 26.449999999999999 110.786 179.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.32 -34.4 60.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 24.949999999999999 110.655 179.808 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -70.52 -40.43 73.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 26.82 110.616 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 62' ' ' GLN . . . . . 0.422 ' HB2' ' CD1' ' D' ' 74' ' ' LEU . 0.8 OUTLIER -64.54 -42.54 95.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.082 -0.508 . . . . 19.5 110.546 179.742 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' C' C ' 63' ' ' SER . . . . . . . . . . . . . 13.7 m -59.53 -35.47 74.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.062 -0.517 . . . . 16.510000000000002 110.542 179.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 64' ' ' GLU . . . . . 0.408 ' HA ' ' HG2' ' C' ' 67' ' ' LYS . 6.2 mt-10 -61.79 -49.26 77.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.175 -0.466 . . . . 18.030000000000001 110.506 179.567 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 65' ' ' LEU . . . . . . . . . . . . . 6.0 mt -54.46 -32.56 57.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.086 -0.506 . . . . 19.82 110.186 179.521 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 66' ' ' VAL . . . . . . . . . . . . . 38.9 t -76.17 -50.7 21.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.819 -0.628 . . . . 11.289999999999999 111.069 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 67' ' ' LYS . . . . . 0.408 ' HG2' ' HA ' ' C' ' 64' ' ' GLU . 1.0 OUTLIER -57.82 -43.47 85.75 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.32 -0.4 . . . . 18.329999999999998 110.602 179.922 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' C' C ' 68' ' ' LYS . . . . . . . . . . . . . 5.3 ttpt -58.99 -39.11 80.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.018 -0.537 . . . . 23.68 110.448 179.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 69' ' ' MET . . . . . . . . . . . . . 38.1 ttp -63.62 -47.34 81.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.068 -0.514 . . . . 9.75 110.446 179.548 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 72.1 t -65.13 -34.17 68.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.085 -0.507 . . . . 6.8399999999999999 110.705 179.625 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 71' ' ' PHE . . . . . 0.477 ' CZ ' ' HD3' ' C' ' 75' ' ' LYS . 28.4 t80 -58.85 -60.9 3.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.26 -0.427 . . . . 19.859999999999999 110.357 179.63 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -52.8 -40.93 63.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.291 -0.413 . . . . 12.0 110.434 179.635 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 73' ' ' THR . . . . . . . . . . . . . 21.2 m -66.92 -70.54 0.24 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.011 -0.541 . . . . 11.18 110.471 179.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 74' ' ' LEU . . . . . 0.477 ' CD1' ' CB ' ' D' ' 62' ' ' GLN . 13.5 mt -50.96 -37.44 44.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.064 -0.516 . . . . 18.859999999999999 111.077 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 75' ' ' LYS . . . . . 0.477 ' HD3' ' CZ ' ' C' ' 71' ' ' PHE . 9.6 tttt -54.2 -68.98 0.14 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 20.609999999999999 110.221 179.46 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 76' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.77 -29.61 70.25 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.708 -0.678 . . . . 17.129999999999999 110.811 179.579 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 77' ' ' LEU . . . . . 0.415 ' HB3' ' HA ' ' C' ' 74' ' ' LEU . 0.6 OUTLIER -66.81 -67.4 0.45 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.229 -0.441 . . . . 21.079999999999998 110.72 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' C' C ' 78' ' ' TYR . . . . . 0.47 ' CZ ' HG23 ' B' ' 73' ' ' THR . 20.5 m-30 -50.72 -25.95 4.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.462 -0.335 . . . . 27.82 110.804 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.71 -38.15 88.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.297 -0.41 . . . . 27.850000000000001 110.896 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 15.2 tttt -67.21 -33.3 75.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.146 -0.479 . . . . 31.620000000000001 110.88 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 81' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -58.59 -45.13 89.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 35.189999999999998 111.182 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 82' ' ' THR . . . . . . . . . . . . . 2.2 p . . . . . 0 C--O 1.25 1.109 0 CA-C-O 118.329 -0.843 . . . . 42.869999999999997 110.883 -179.871 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' D' D ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.415 0 CA-C-O 120.741 0.305 . . . . 42.719999999999999 111.145 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -98.54 20.17 13.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 40.75 111.202 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -62.44 -25.54 68.03 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.88 0.372 . . . . 34.5 110.837 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 55' ' ' ALA . . . . . . . . . . . . . . . -54.41 -45.14 72.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.495 . . . . 33.57 111.031 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -62.05 -56.51 18.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 31.109999999999999 110.69 179.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 57' ' ' ARG . . . . . . . . . . . . . 8.3 mtm180 -53.07 -30.9 38.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 23.77 110.481 179.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 58' ' ' LEU . . . . . . . . . . . . . 15.6 mt -69.13 -58.52 3.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.865 -0.607 . . . . 19.68 110.887 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 59' ' ' ALA . . . . . . . . . . . . . . . -48.53 -34.05 10.63 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.872 -0.604 . . . . 18.879999999999999 111.084 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 60' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -63.45 -45.83 89.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.11 -0.495 . . . . 23.710000000000001 110.68 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 61' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -63.2 -33.85 76.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 16.829999999999998 110.857 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 62' ' ' GLN . . . . . 0.477 ' CB ' ' CD1' ' C' ' 74' ' ' LEU . 3.4 mm-40 -74.55 -46.87 36.15 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.187 -0.46 . . . . 15.5 110.681 179.791 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 63' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -53.55 -58.53 6.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 14.710000000000001 110.514 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 64' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -52.26 -36.88 53.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 8.7100000000000009 110.417 179.601 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 65' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -64.46 -51.03 65.12 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.014 -0.539 . . . . 7.04 110.376 179.488 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 66' ' ' VAL . . . . . . . . . . . . . 21.5 t -58.72 -31.89 45.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.489 . . . . 7.2800000000000002 110.576 179.641 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 67' ' ' LYS . . . . . 0.401 ' O ' ' N ' ' D' ' 71' ' ' PHE . 6.2 tttt -60.78 -58.97 6.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.927 -0.578 . . . . 16.0 110.933 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 68' ' ' LYS . . . . . . . . . . . . . 1.2 ptmt -56.22 -29.87 61.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.874 0.368 . . . . 15.34 110.786 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 69' ' ' MET . . . . . 0.423 ' CE ' ' HB3' ' B' ' 62' ' ' GLN . 57.7 ttp -72.1 -50.87 24.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 12.710000000000001 110.653 179.811 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 70' ' ' VAL . . . . . . . . . . . . . 58.8 t -77.13 -19.89 14.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 15.6 111.187 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 71' ' ' PHE . . . . . 0.401 ' N ' ' O ' ' D' ' 67' ' ' LYS . 13.1 t80 -69.57 -43.06 73.66 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.329 -0.396 . . . . 25.809999999999999 110.583 179.689 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -69.14 -41.19 77.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.078 -0.51 . . . . 28.289999999999999 110.583 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 73' ' ' THR . . . . . 0.41 HG23 ' CZ ' ' A' ' 78' ' ' TYR . 87.9 m -52.45 -59.6 4.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 22.5 110.62 179.793 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 74' ' ' LEU . . . . . 0.422 ' CD1' ' HB2' ' C' ' 62' ' ' GLN . 56.4 mt -52.02 -35.68 47.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 21.059999999999999 110.708 179.725 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 75' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -52.08 -43.62 63.94 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.214 -0.448 . . . . 26.25 110.492 179.764 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 76' ' ' ASP . . . . . 0.431 ' HA ' ' CG ' ' D' ' 79' ' ' LYS . 30.2 m-20 -76.36 -29.62 57.26 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.012 -0.54 . . . . 30.620000000000001 110.51 179.728 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 77' ' ' LEU . . . . . . . . . . . . . 21.0 mt -66.81 -37.22 84.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.07 -0.514 . . . . 30.32 110.941 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 78' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -82.21 -60.15 2.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 32.920000000000002 111.055 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 79' ' ' LYS . . . . . 0.431 ' CG ' ' HA ' ' D' ' 76' ' ' ASP . 0.0 OUTLIER -50.83 -26.09 5.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 42.640000000000001 111.014 -179.907 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' D' D ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.01 -22.81 16.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 40.07 111.005 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 81' ' ' THR . . . . . . . . . . . . . 14.5 t -168.28 44.55 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.361 -0.381 . . . . 42.200000000000003 110.866 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 82' ' ' THR . . . . . . . . . . . . . 2.2 t . . . . . 0 C--O 1.248 0.991 0 CA-C-O 118.243 -0.884 . . . . 47.579999999999998 110.869 179.951 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.3 ttt85 . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.808 0.337 . . . . 47.799999999999997 111.158 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -132.41 96.04 3.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 36.329999999999998 110.902 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.431 ' O ' ' CB ' ' A' ' 58' ' ' LEU . 0.5 OUTLIER -77.21 -25.41 51.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.122 -0.49 . . . . 37.799999999999997 110.885 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.77 -39.89 93.24 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.421 -0.354 . . . . 31.300000000000001 110.891 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -61.06 -57.11 13.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.222 -0.445 . . . . 27.84 110.6 179.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 1.2 mtm180 -65.74 -47.66 74.51 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.006 -0.543 . . . . 26.609999999999999 110.341 179.542 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.431 ' CB ' ' O ' ' A' ' 54' ' ' ASP . 2.4 tm? -54.3 -41.56 69.09 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.67 -0.695 . . . . 28.780000000000001 110.726 179.613 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.13 -40.68 86.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.059 -0.519 . . . . 26.050000000000001 111.056 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 58.4 t0 -58.48 -34.82 71.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 26.890000000000001 110.823 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -61.41 -56.34 21.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 26.780000000000001 110.83 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.412 ' N ' ' OE1' ' A' ' 62' ' ' GLN . 6.3 mp0 -51.66 -39.01 57.39 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.006 -0.543 . . . . 20.539999999999999 110.698 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.59 -44.17 91.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.12 -0.491 . . . . 16.489999999999998 110.652 179.746 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.99 -20.43 62.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.467 . . . . 17.920000000000002 110.872 179.773 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.4 mt -78.92 -36.92 41.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.968 0.413 . . . . 16.440000000000001 110.204 179.458 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 46.6 t -73.94 -40.02 52.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.898 -0.592 . . . . 11.02 110.75 179.463 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.437 ' CG ' ' N ' ' A' ' 68' ' ' LYS . 18.8 ptmt -64.94 -49.74 69.18 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.091 -0.504 . . . . 20.039999999999999 110.594 179.785 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.437 ' N ' ' CG ' ' A' ' 67' ' ' LYS . 0.0 OUTLIER -62.89 -34.61 77.76 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.134 -0.485 . . . . 23.440000000000001 110.25 179.583 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 7.3 tmm? -69.61 -45.67 68.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.805 -0.634 . . . . 9.0 110.257 179.45 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 45.2 t -66.09 -35.07 74.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.031 -0.532 . . . . 4.96 110.5 179.618 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.456 ' CZ ' ' HE2' ' A' ' 75' ' ' LYS . 65.0 t80 -52.76 -60.36 3.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.288 -0.415 . . . . 16.449999999999999 110.404 179.662 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.59 -49.89 61.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 9.25 110.783 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 19.8 m -57.62 -71.45 0.1 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.318 -0.401 . . . . 12.94 110.198 179.647 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.442 ' CD1' ' CB ' ' B' ' 62' ' ' GLN . 14.3 mt -49.7 -35.6 22.39 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.132 -0.485 . . . . 19.390000000000001 110.872 179.804 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.456 ' HE2' ' CZ ' ' A' ' 71' ' ' PHE . 6.6 ttmm -55.23 -67.72 0.25 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.021 -0.536 . . . . 23.149999999999999 110.204 179.544 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.63 -31.5 72.69 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.601 -0.727 . . . . 15.24 110.908 179.676 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.404 ' HB3' ' HA ' ' A' ' 74' ' ' LEU . 1.1 tp -64.68 -60.32 3.24 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.396 -0.365 . . . . 20.5 110.75 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 22.0 m-30 -57.3 -23.8 50.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.357 -0.383 . . . . 25.690000000000001 110.762 179.625 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 24.7 mttt -69.48 -30.11 67.92 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.245 -0.434 . . . . 27.109999999999999 110.791 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -60.53 -26.54 66.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.245 -0.434 . . . . 30.079999999999998 110.864 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 23.1 p -83.95 -60.36 2.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 34.619999999999997 110.872 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.0 t . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.3 -0.857 . . . . 40.68 110.887 179.947 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 28.7 mmm180 . . . . . 0 N--CA 1.486 1.331 0 CA-C-O 120.836 0.351 . . . . 45.719999999999999 111.227 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 53' ' ' ASN . . . . . 0.413 ' ND2' ' HB3' ' B' ' 55' ' ' ALA . 0.4 OUTLIER -51.38 166.95 0.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 42.530000000000001 110.935 -179.943 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 31.1 m-20 -63.99 -23.87 67.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 35.130000000000003 111.06 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 55' ' ' ALA . . . . . 0.413 ' HB3' ' ND2' ' B' ' 53' ' ' ASN . . . -52.54 -36.65 56.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.283 -0.417 . . . . 34.969999999999999 111.191 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.59 -59.72 3.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.293 -0.412 . . . . 32.049999999999997 110.862 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 57' ' ' ARG . . . . . 0.432 ' HG3' ' N ' ' B' ' 58' ' ' LEU . 0.0 OUTLIER -50.8 -30.78 15.1 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.302 -0.408 . . . . 24.18 110.713 179.925 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . 0.432 ' N ' ' HG3' ' B' ' 57' ' ' ARG . 4.2 mt -72.13 -62.71 1.33 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.108 -0.496 . . . . 19.91 110.816 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -44.89 -29.97 0.91 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.983 -0.553 . . . . 18.5 111.051 179.731 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -70.97 -41.91 70.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.985 -0.552 . . . . 22.379999999999999 110.224 179.364 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.98 -31.36 71.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.971 -0.559 . . . . 16.52 110.404 179.523 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . 0.442 ' CB ' ' CD1' ' A' ' 74' ' ' LEU . 12.4 mm-40 -72.85 -47.52 45.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.958 -0.565 . . . . 15.84 110.575 179.796 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.12 -60.5 3.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.481 . . . . 14.800000000000001 110.589 179.754 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -53.15 -31.82 44.48 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 116.253 -0.43 . . . . 10.77 110.346 179.599 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.18 -50.57 31.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.985 -0.552 . . . . 7.0300000000000002 110.295 179.522 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 59.3 t -63.63 -32.28 56.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.185 -0.461 . . . . 8.6400000000000006 110.846 179.612 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 22.6 tttt -64.07 -53.64 46.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.1 -0.5 . . . . 19.300000000000001 110.954 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 15.8 mttt -57.35 -33.01 67.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.458 . . . . 19.960000000000001 110.742 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 69' ' ' MET . . . . . . . . . . . . . 28.7 ttp -69.96 -49.64 49.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 12.699999999999999 110.797 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 95.7 t -74.95 -22.73 17.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 15.140000000000001 111.062 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -63.41 -45.2 92.11 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.414 -0.357 . . . . 26.07 110.591 179.669 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.76 -45.04 76.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.064 -0.517 . . . . 27.809999999999999 110.773 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 73' ' ' THR . . . . . 0.426 ' CG2' HD22 ' D' ' 58' ' ' LEU . 54.4 m -49.97 -54.65 18.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.231 -0.441 . . . . 20.68 110.852 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 41.3 mt -54.19 -40.3 67.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 21.120000000000001 110.841 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.34 -47.3 62.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.448 . . . . 27.77 110.655 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -72.23 -31.07 65.5 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.989 -0.551 . . . . 31.16 110.555 179.707 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 25.3 mt -62.64 -48.97 77.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.944 -0.571 . . . . 30.460000000000001 110.746 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 54.9 m-85 -79.83 -28.31 40.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.064 -0.517 . . . . 33.079999999999998 110.874 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.12 -20.38 62.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.059 -0.519 . . . . 39.579999999999998 111.16 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.57 -26.76 65.56 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.463 -0.335 . . . . 42.539999999999999 111.263 -179.81 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 1.8 t -145.01 89.41 1.96 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.375 -0.375 . . . . 42.719999999999999 111.078 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 13.6 t . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.175 -0.917 . . . . 48.630000000000003 110.893 179.931 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 52' ' ' ARG . . . . . . . . . . . . . 2.4 ttt85 . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.775 0.322 . . . . 45.770000000000003 111.181 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -132.45 96.14 3.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 41.409999999999997 110.845 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 54' ' ' ASP . . . . . 0.424 ' O ' ' CB ' ' C' ' 58' ' ' LEU . 0.5 OUTLIER -77.31 -25.24 51.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 40.219999999999999 110.904 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.97 -39.84 93.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.37 -0.377 . . . . 35.670000000000002 110.853 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -61.0 -57.26 13.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 30.75 110.579 179.726 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 57' ' ' ARG . . . . . . . . . . . . . 1.2 mtm180 -65.7 -47.54 75.07 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.001 -0.545 . . . . 39.159999999999997 110.295 179.605 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 58' ' ' LEU . . . . . 0.424 ' CB ' ' O ' ' C' ' 54' ' ' ASP . 2.4 tm? -54.36 -41.83 69.58 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.677 -0.692 . . . . 29.170000000000002 110.69 179.609 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.88 -40.78 85.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.058 -0.519 . . . . 21.050000000000001 111.06 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 58.2 t0 -58.51 -34.57 71.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.236 -0.438 . . . . 18.559999999999999 110.828 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -61.63 -56.32 21.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 21.43 110.812 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 62' ' ' GLN . . . . . 0.414 ' N ' ' OE1' ' C' ' 62' ' ' GLN . 6.3 mp0 -51.57 -39.02 57.07 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.025 -0.534 . . . . 23.920000000000002 110.697 179.814 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 63' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.74 -44.05 91.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.112 -0.494 . . . . 18.079999999999998 110.689 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.96 -20.5 62.38 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.138 -0.483 . . . . 25.02 110.899 179.762 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 65' ' ' LEU . . . . . . . . . . . . . 3.3 mt -78.9 -36.61 41.75 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.962 0.411 . . . . 20.5 110.244 179.534 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 66' ' ' VAL . . . . . . . . . . . . . 46.3 t -74.31 -39.94 49.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.95 -0.568 . . . . 16.0 110.729 179.492 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 67' ' ' LYS . . . . . 0.441 ' CG ' ' N ' ' C' ' 68' ' ' LYS . 18.8 ptmt -64.91 -49.56 69.96 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.071 -0.513 . . . . 10.359999999999999 110.571 179.759 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 68' ' ' LYS . . . . . 0.441 ' N ' ' CG ' ' C' ' 67' ' ' LYS . 0.0 OUTLIER -63.1 -34.71 78.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.112 -0.494 . . . . 14.630000000000001 110.155 179.604 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' C' C ' 69' ' ' MET . . . . . . . . . . . . . 7.3 tmm? -69.51 -45.96 67.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.86 -0.609 . . . . 10.44 110.242 179.462 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 46.2 t -65.81 -35.22 74.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.967 -0.56 . . . . 10.539999999999999 110.49 179.595 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 71' ' ' PHE . . . . . 0.445 ' CZ ' ' HE2' ' C' ' 75' ' ' LYS . 64.9 t80 -52.64 -60.45 3.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.275 -0.42 . . . . 17.059999999999999 110.415 179.68 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.52 -49.82 61.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.282 -0.417 . . . . 14.1 110.697 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 73' ' ' THR . . . . . . . . . . . . . 19.7 m -57.74 -71.55 0.1 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.383 -0.372 . . . . 10.27 110.191 179.715 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 74' ' ' LEU . . . . . 0.481 ' CD1' ' CB ' ' D' ' 62' ' ' GLN . 14.5 mt -49.65 -35.31 20.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.131 -0.486 . . . . 14.27 110.899 179.801 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 75' ' ' LYS . . . . . 0.445 ' HE2' ' CZ ' ' C' ' 71' ' ' PHE . 6.6 ttmm -55.53 -67.87 0.25 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.074 -0.512 . . . . 14.789999999999999 110.167 179.436 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 76' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.41 -31.6 72.8 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.625 -0.716 . . . . 17.98 110.926 179.687 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 1.1 tp -64.59 -60.24 3.35 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.307 -0.406 . . . . 21.170000000000002 110.751 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 78' ' ' TYR . . . . . 0.405 ' CE2' HG23 ' B' ' 73' ' ' THR . 22.0 m-30 -57.5 -23.59 51.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.336 -0.393 . . . . 27.670000000000002 110.74 179.691 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 24.7 mttt -69.59 -30.08 67.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.304 -0.407 . . . . 25.719999999999999 110.796 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -60.63 -26.4 67.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.213 -0.449 . . . . 30.969999999999999 110.911 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 81' ' ' THR . . . . . . . . . . . . . 23.4 p -84.02 -60.29 2.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 34.689999999999998 110.872 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 82' ' ' THR . . . . . . . . . . . . . 7.0 t . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.229 -0.891 . . . . 39.469999999999999 110.924 -179.992 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' D' D ' 52' ' ' ARG . . . . . . . . . . . . . 28.7 mmm180 . . . . . 0 N--CA 1.487 1.391 0 CA-C-O 120.809 0.338 . . . . 48.090000000000003 111.217 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' D' D ' 53' ' ' ASN . . . . . 0.407 ' ND2' ' HB3' ' D' ' 55' ' ' ALA . 0.4 OUTLIER -51.13 167.08 0.08 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 40.799999999999997 110.984 -179.942 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -64.1 -23.95 67.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 33.479999999999997 110.992 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 55' ' ' ALA . . . . . 0.407 ' HB3' ' ND2' ' D' ' 53' ' ' ASN . . . -52.56 -36.59 56.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.304 -0.407 . . . . 30.460000000000001 111.192 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.58 -59.86 3.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 33.719999999999999 110.871 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 57' ' ' ARG . . . . . 0.43 ' HG3' ' N ' ' D' ' 58' ' ' LEU . 0.0 OUTLIER -50.81 -30.77 15.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.266 -0.424 . . . . 27.120000000000001 110.754 179.913 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' D' D ' 58' ' ' LEU . . . . . 0.43 ' N ' ' HG3' ' D' ' 57' ' ' ARG . 4.2 mt -72.28 -61.9 1.63 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.063 -0.517 . . . . 22.539999999999999 110.808 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 59' ' ' ALA . . . . . . . . . . . . . . . -45.61 -29.95 1.37 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.993 -0.549 . . . . 21.960000000000001 111.058 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 60' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -71.05 -41.66 70.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.972 -0.558 . . . . 18.719999999999999 110.239 179.425 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 61' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.07 -31.25 71.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.011 -0.541 . . . . 13.35 110.484 179.548 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 62' ' ' GLN . . . . . 0.481 ' CB ' ' CD1' ' C' ' 74' ' ' LEU . 12.4 mm-40 -72.92 -47.74 43.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.927 -0.578 . . . . 11.109999999999999 110.624 179.699 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 63' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.84 -60.45 3.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 16.73 110.573 179.735 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 64' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -53.18 -31.85 44.86 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 116.279 -0.419 . . . . 17.91 110.376 179.626 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.17 -50.29 34.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.961 -0.563 . . . . 11.27 110.414 179.472 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 66' ' ' VAL . . . . . . . . . . . . . 58.9 t -63.89 -32.3 56.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.117 -0.492 . . . . 8.8599999999999994 110.793 179.622 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 67' ' ' LYS . . . . . . . . . . . . . 22.7 tttt -64.01 -53.79 44.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.013 -0.539 . . . . 12.779999999999999 110.898 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 68' ' ' LYS . . . . . . . . . . . . . 15.9 mttt -57.33 -32.89 67.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 11.41 110.764 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 69' ' ' MET . . . . . . . . . . . . . 28.4 ttp -70.05 -49.66 49.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 10.960000000000001 110.759 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 70' ' ' VAL . . . . . . . . . . . . . 96.8 t -74.79 -22.94 17.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.057 -0.519 . . . . 10.619999999999999 111.034 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -63.23 -45.25 92.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.342 -0.39 . . . . 17.690000000000001 110.677 179.662 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.74 -45.08 76.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 24.27 110.786 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 73' ' ' THR . . . . . 0.42 ' CG2' HD22 ' B' ' 58' ' ' LEU . 54.0 m -49.91 -54.7 18.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 24.25 110.885 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 74' ' ' LEU . . . . . . . . . . . . . 41.5 mt -54.07 -40.43 67.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 27.109999999999999 110.835 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.25 -47.21 62.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 27.920000000000002 110.715 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 76' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -72.32 -31.22 65.49 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.947 -0.57 . . . . 28.07 110.535 179.686 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 77' ' ' LEU . . . . . . . . . . . . . 25.5 mt -62.36 -49.18 76.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.959 -0.564 . . . . 28.710000000000001 110.775 179.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 78' ' ' TYR . . . . . . . . . . . . . 54.9 m-85 -79.8 -28.22 40.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.065 -0.516 . . . . 34.020000000000003 110.855 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.18 -20.26 62.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.036 -0.529 . . . . 42.390000000000001 111.24 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.71 -26.58 65.34 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.425 -0.352 . . . . 42.130000000000003 111.212 -179.8 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 81' ' ' THR . . . . . . . . . . . . . 1.8 t -145.14 89.35 1.94 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.862 0.363 . . . . 41.439999999999998 111.064 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 82' ' ' THR . . . . . . . . . . . . . 13.6 t . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.246 -0.883 . . . . 49.799999999999997 110.887 179.941 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 11.9 ptt180 . . . . . 0 N--CA 1.487 1.411 0 CA-C-O 120.794 0.331 . . . . 43.909999999999997 111.131 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -82.4 58.28 4.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 40.340000000000003 110.972 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.424 ' O ' ' CB ' ' A' ' 58' ' ' LEU . 6.9 m-20 -55.08 -25.71 33.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.25 -0.432 . . . . 37.969999999999999 110.858 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.02 -41.48 98.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 35.119999999999997 110.562 179.727 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -62.41 -57.73 10.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.1 -0.5 . . . . 30.350000000000001 110.483 179.612 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 15.3 ptp180 -61.44 -44.76 96.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.953 -0.567 . . . . 36.770000000000003 110.175 179.406 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.424 ' CB ' ' O ' ' A' ' 54' ' ' ASP . 1.6 tm? -58.68 -44.97 90.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.651 -0.704 . . . . 25.899999999999999 110.471 179.496 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -55.78 -37.26 68.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.973 -0.558 . . . . 20.780000000000001 110.856 179.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -62.13 -38.28 88.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.036 -0.529 . . . . 22.280000000000001 110.643 179.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 56.1 tt0 -55.44 -63.93 1.01 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.489 . . . . 23.16 110.735 179.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.431 ' N ' ' OE1' ' A' ' 62' ' ' GLN . 0.1 OUTLIER -50.76 -38.69 49.37 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.005 -0.543 . . . . 25.98 110.808 179.797 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.9 m -59.5 -30.76 68.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 17.539999999999999 110.628 179.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.03 -38.98 66.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.078 -0.51 . . . . 24.629999999999999 110.707 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 23.8 mt -56.76 -41.19 77.16 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.097 -0.501 . . . . 17.309999999999999 110.74 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 62.0 t -67.97 -49.27 69.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.055 -0.521 . . . . 15.390000000000001 111.01 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.9 tttm -55.41 -51.03 68.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 15.279999999999999 110.608 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -54.3 -39.3 66.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 13.65 110.579 179.676 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 53.9 ttp -65.59 -40.69 92.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 8.4000000000000004 110.568 179.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 73.5 t -71.17 -41.52 75.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.029 -0.532 . . . . 10.85 110.837 179.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.476 ' CZ ' ' HD3' ' A' ' 75' ' ' LYS . 19.6 t80 -51.95 -60.77 2.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.34 -0.391 . . . . 10.25 110.591 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -52.23 -45.73 65.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 11.380000000000001 110.771 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.5 m -64.2 -69.3 0.29 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.354 -0.384 . . . . 13.300000000000001 110.356 179.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.47 ' CD1' ' CB ' ' B' ' 62' ' ' GLN . 14.8 mt -50.37 -36.09 31.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 16.350000000000001 110.961 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.476 ' HD3' ' CZ ' ' A' ' 71' ' ' PHE . 7.8 tttp -55.46 -67.6 0.27 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.121 0.486 . . . . 14.06 110.107 179.408 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.51 -32.03 72.88 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.543 -0.753 . . . . 16.390000000000001 110.842 179.59 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.4 ' HB3' ' HA ' ' A' ' 74' ' ' LEU . 1.2 tp -65.58 -65.04 0.73 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.329 -0.396 . . . . 21.23 110.629 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 22.7 m-30 -55.85 -24.63 37.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 25.010000000000002 110.759 179.67 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.09 -27.72 64.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.311 -0.404 . . . . 30.210000000000001 110.47 179.661 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.46 -41.77 96.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.106 -0.497 . . . . 27.539999999999999 110.687 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 70.9 p -60.34 -77.66 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.035 -0.53 . . . . 34.880000000000003 110.764 179.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.8 t . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.249 -0.881 . . . . 38.75 110.834 179.866 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.798 0.332 . . . . 47.140000000000001 111.215 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -162.27 176.66 10.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 39.68 110.913 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -54.65 -42.24 71.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 34.310000000000002 110.949 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -51.58 -38.02 52.49 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.079 -0.509 . . . . 32.649999999999999 111.022 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.53 -52.21 23.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 31.609999999999999 110.837 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 17.7 mtt180 -57.79 -26.67 62.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 32.140000000000001 110.684 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . 0.434 HD13 ' CG2' ' D' ' 73' ' ' THR . 24.8 mt -76.21 -51.95 11.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.112 -0.495 . . . . 22.809999999999999 110.886 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.08 -50.52 72.53 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.991 -0.549 . . . . 20.18 110.954 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -59.57 -51.23 70.71 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.175 -0.466 . . . . 18.149999999999999 110.882 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 21.6 tp10 -58.27 -36.67 73.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 12.4 110.727 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . 0.47 ' CB ' ' CD1' ' A' ' 74' ' ' LEU . 0.1 OUTLIER -73.93 -49.46 24.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.986 -0.552 . . . . 11.24 110.891 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 1.5 m -58.71 -55.63 32.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.891 0.377 . . . . 17.219999999999999 110.349 179.615 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . 0.426 ' HG3' ' N ' ' B' ' 65' ' ' LEU . 10.4 pt-20 -48.2 -37.71 16.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.079 -0.509 . . . . 19.039999999999999 110.685 179.567 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . 0.426 ' N ' ' HG3' ' B' ' 64' ' ' GLU . 0.1 OUTLIER -63.03 -40.39 97.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.93 -0.577 . . . . 11.02 110.594 179.657 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 3.5 t -64.19 -38.64 83.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.092 -0.504 . . . . 9.9299999999999997 110.95 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.99 -63.8 1.04 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.048 -0.524 . . . . 18.84 110.735 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 1.3 ttmp? -50.82 -32.33 19.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.279 -0.419 . . . . 11.25 110.638 179.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 69' ' ' MET . . . . . . . . . . . . . 26.4 ttp -68.28 -53.16 26.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.009 -0.541 . . . . 10.98 110.653 179.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 58.9 t -69.98 -25.13 27.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 11.699999999999999 110.842 179.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -59.81 -45.9 90.9 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.125 -0.489 . . . . 18.620000000000001 110.669 179.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.71 -46.36 79.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.12 -0.491 . . . . 24.109999999999999 110.676 179.752 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 73' ' ' THR . . . . . 0.415 ' CG2' ' CD1' ' D' ' 58' ' ' LEU . 96.5 m -51.84 -60.79 2.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 22.07 110.82 179.788 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 29.5 mt -50.2 -47.41 54.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 26.899999999999999 110.998 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 6.4 tttt -49.94 -41.45 46.39 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.338 -0.392 . . . . 30.109999999999999 110.835 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -79.11 -26.69 42.89 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.957 -0.565 . . . . 29.5 110.771 179.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 18.7 mt -67.6 -46.26 73.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.065 -0.516 . . . . 28.859999999999999 111.036 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -71.23 -60.49 2.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 34.799999999999997 111.025 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 16.6 ptmt -52.1 -26.01 10.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 41.579999999999998 111.171 -179.66 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.42 -52.91 62.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.368 -0.378 . . . . 43.409999999999997 110.874 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 12.1 p -68.73 64.56 0.12 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 42.829999999999998 110.908 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 15.0 t . . . . . 0 C--O 1.25 1.127 0 CA-C-O 118.182 -0.913 . . . . 52.659999999999997 110.864 -179.974 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 52' ' ' ARG . . . . . . . . . . . . . 11.9 ptt180 . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.853 0.358 . . . . 47.229999999999997 111.202 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 53' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -82.55 58.4 4.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.119 -0.491 . . . . 36.520000000000003 110.98 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 54' ' ' ASP . . . . . 0.418 ' O ' ' CB ' ' C' ' 58' ' ' LEU . 6.9 m-20 -55.23 -25.83 35.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.462 . . . . 40.149999999999999 110.852 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 55' ' ' ALA . . . . . 0.413 ' HB3' ' CD2' ' D' ' 78' ' ' TYR . . . -61.93 -41.27 97.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.323 -0.399 . . . . 31.449999999999999 110.6 179.694 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -62.46 -57.98 9.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.465 . . . . 27.739999999999998 110.376 179.552 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 57' ' ' ARG . . . . . . . . . . . . . 15.3 ptp180 -61.22 -44.9 96.52 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.949 -0.568 . . . . 29.530000000000001 110.178 179.461 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 58' ' ' LEU . . . . . 0.418 ' CB ' ' O ' ' C' ' 54' ' ' ASP . 1.6 tm? -58.49 -45.11 89.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.657 -0.702 . . . . 31.780000000000001 110.525 179.453 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -55.67 -37.33 68.15 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.916 -0.584 . . . . 26.16 110.882 179.672 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -62.06 -38.25 88.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.095 -0.502 . . . . 24.52 110.68 179.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 56.2 tt0 -55.46 -63.94 1.01 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.071 -0.513 . . . . 25.25 110.737 179.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 62' ' ' GLN . . . . . 0.428 ' N ' ' OE1' ' C' ' 62' ' ' GLN . 0.1 OUTLIER -50.78 -38.6 49.11 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.989 -0.551 . . . . 19.48 110.85 179.783 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' C' C ' 63' ' ' SER . . . . . . . . . . . . . 5.2 m -59.53 -30.93 68.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.117 -0.492 . . . . 17.309999999999999 110.606 179.73 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.91 -38.77 66.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.08 -0.509 . . . . 18.75 110.791 179.747 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 65' ' ' LEU . . . . . . . . . . . . . 23.4 mt -56.93 -41.23 77.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.471 . . . . 19.879999999999999 110.719 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 66' ' ' VAL . . . . . . . . . . . . . 61.6 t -67.94 -49.3 69.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.105 -0.498 . . . . 11.119999999999999 110.955 179.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 67' ' ' LYS . . . . . . . . . . . . . 7.8 tttm -55.07 -51.28 66.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 16.239999999999998 110.683 179.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 68' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -54.21 -39.44 66.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 23.59 110.668 179.721 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 69' ' ' MET . . . . . . . . . . . . . 53.9 ttp -65.4 -40.66 93.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.109 -0.496 . . . . 10.48 110.65 179.684 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 73.5 t -71.24 -41.28 74.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.047 -0.524 . . . . 7.4800000000000004 110.826 179.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 71' ' ' PHE . . . . . 0.468 ' CZ ' ' HD3' ' C' ' 75' ' ' LYS . 19.7 t80 -52.36 -60.56 3.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.409 -0.36 . . . . 20.84 110.557 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -52.23 -45.98 65.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.279 -0.419 . . . . 12.08 110.695 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 73' ' ' THR . . . . . . . . . . . . . 18.7 m -63.92 -69.35 0.28 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.29 -0.414 . . . . 9.9000000000000004 110.362 179.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 74' ' ' LEU . . . . . 0.476 ' CD1' ' CB ' ' D' ' 62' ' ' GLN . 14.9 mt -50.42 -36.1 31.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 18.210000000000001 110.962 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 75' ' ' LYS . . . . . 0.468 ' HD3' ' CZ ' ' C' ' 71' ' ' PHE . 7.9 tttp -55.53 -67.46 0.28 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.13 -0.486 . . . . 21.329999999999998 110.06 179.49 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 76' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.56 -32.09 73.0 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.641 -0.708 . . . . 17.280000000000001 110.799 179.601 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 1.2 tp -65.51 -65.18 0.71 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.297 -0.41 . . . . 20.27 110.642 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 78' ' ' TYR . . . . . . . . . . . . . 22.7 m-30 -55.75 -24.68 36.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.433 . . . . 27.25 110.703 179.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.89 -27.91 65.19 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.319 -0.4 . . . . 27.059999999999999 110.494 179.621 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.3 -41.65 96.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.092 -0.504 . . . . 31.510000000000002 110.799 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 81' ' ' THR . . . . . . . . . . . . . 69.5 p -60.57 -77.54 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.061 -0.518 . . . . 34.329999999999998 110.791 179.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 82' ' ' THR . . . . . . . . . . . . . 2.8 t . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.214 -0.898 . . . . 41.710000000000001 110.873 179.882 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' D' D ' 52' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.816 0.341 . . . . 46.57 111.241 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' D' D ' 53' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -162.41 176.53 10.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 41.530000000000001 110.976 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -54.55 -42.16 70.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 33.649999999999999 110.923 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 55' ' ' ALA . . . . . . . . . . . . . . . -51.72 -37.96 53.23 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.121 -0.49 . . . . 32.909999999999997 110.995 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.6 -52.1 23.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 31.300000000000001 110.816 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 57' ' ' ARG . . . . . . . . . . . . . 17.5 mtt180 -57.73 -26.77 62.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 23.010000000000002 110.735 179.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 58' ' ' LEU . . . . . 0.415 ' CD1' ' CG2' ' B' ' 73' ' ' THR . 23.8 mt -76.01 -52.65 9.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.038 -0.528 . . . . 19.469999999999999 110.896 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 59' ' ' ALA . . . . . . . . . . . . . . . -56.45 -50.79 70.66 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.008 -0.542 . . . . 19.66 110.909 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 60' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -59.43 -51.33 70.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 24.800000000000001 110.884 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 61' ' ' GLU . . . . . . . . . . . . . 21.5 tp10 -58.09 -36.71 73.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.233 -0.44 . . . . 17.129999999999999 110.754 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 62' ' ' GLN . . . . . 0.476 ' CB ' ' CD1' ' C' ' 74' ' ' LEU . 0.0 OUTLIER -74.05 -49.65 23.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.022 -0.535 . . . . 15.31 110.919 179.931 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' D' D ' 63' ' ' SER . . . . . . . . . . . . . 1.5 m -58.31 -55.61 32.82 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.979 0.418 . . . . 14.869999999999999 110.319 179.702 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 64' ' ' GLU . . . . . 0.419 ' HG3' ' N ' ' D' ' 65' ' ' LEU . 10.3 pt-20 -48.34 -37.64 17.14 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.972 -0.558 . . . . 9.1600000000000001 110.583 179.581 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 65' ' ' LEU . . . . . 0.419 ' N ' ' HG3' ' D' ' 64' ' ' GLU . 0.1 OUTLIER -63.04 -40.48 97.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.953 -0.567 . . . . 7.5899999999999999 110.614 179.653 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' D' D ' 66' ' ' VAL . . . . . . . . . . . . . 3.6 t -64.11 -38.62 82.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.068 -0.514 . . . . 6.4400000000000004 110.964 179.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.96 -63.77 1.05 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.086 -0.506 . . . . 13.68 110.804 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 68' ' ' LYS . . . . . . . . . . . . . 1.3 ttmp? -50.77 -32.31 19.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.22 -0.445 . . . . 18.489999999999998 110.596 179.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 69' ' ' MET . . . . . . . . . . . . . 26.3 ttp -68.06 -53.53 24.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.011 -0.541 . . . . 12.93 110.668 179.65 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 70' ' ' VAL . . . . . . . . . . . . . 58.7 t -69.89 -24.88 27.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.06 -0.518 . . . . 15.550000000000001 110.862 179.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 26.2 t80 -59.97 -46.04 90.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 25.260000000000002 110.617 179.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.58 -46.39 79.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 28.149999999999999 110.63 179.699 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 73' ' ' THR . . . . . 0.434 ' CG2' HD13 ' B' ' 58' ' ' LEU . 97.3 m -51.82 -60.72 2.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.101 -0.5 . . . . 23.399999999999999 110.864 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 74' ' ' LEU . . . . . . . . . . . . . 29.3 mt -50.36 -47.35 56.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.487 . . . . 21.66 110.919 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 75' ' ' LYS . . . . . . . . . . . . . 6.6 tttt -49.98 -41.34 46.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.939 0.399 . . . . 25.989999999999998 110.795 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 76' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -79.28 -26.64 42.3 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.991 -0.55 . . . . 29.550000000000001 110.729 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 77' ' ' LEU . . . . . . . . . . . . . 18.9 mt -67.5 -46.38 73.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.07 -0.514 . . . . 30.66 111.039 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 78' ' ' TYR . . . . . 0.413 ' CD2' ' HB3' ' C' ' 55' ' ' ALA . 2.5 m-85 -71.11 -60.43 2.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.096 -0.502 . . . . 32.5 111.145 -179.847 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 79' ' ' LYS . . . . . . . . . . . . . 16.6 ptmt -52.14 -26.14 10.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 42.229999999999997 111.123 -179.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.39 -53.0 61.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.353 -0.385 . . . . 40.409999999999997 110.763 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 81' ' ' THR . . . . . . . . . . . . . 11.9 p -68.58 64.52 0.11 Allowed 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 116.264 -0.426 . . . . 41.409999999999997 110.975 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 82' ' ' THR . . . . . . . . . . . . . 15.1 t . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.187 -0.911 . . . . 50.079999999999998 110.944 -179.969 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.403 0 CA-C-O 120.801 0.334 . . . . 47.810000000000002 111.183 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -62.44 88.52 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 40.189999999999998 110.983 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.71 -34.04 66.84 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.3 -0.409 . . . . 42.670000000000002 110.681 179.772 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.4 ' HB1' ' CD1' ' B' ' 78' ' ' TYR . . . -59.83 -39.96 86.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 34.299999999999997 110.61 179.604 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -67.51 -55.93 11.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.083 -0.508 . . . . 30.16 110.426 179.534 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.49 -42.2 91.61 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.794 -0.639 . . . . 35.549999999999997 110.41 179.491 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 14.5 mt -58.08 -47.4 83.33 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.905 -0.589 . . . . 32.759999999999998 110.644 179.604 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.6 -38.85 56.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 24.460000000000001 110.996 179.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.7 -28.59 64.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.06 -0.518 . . . . 20.850000000000001 110.677 179.773 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -78.74 -40.28 33.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 22.800000000000001 110.651 179.811 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 54.6 mm-40 -66.82 -40.29 87.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.054 -0.521 . . . . 19.850000000000001 110.44 179.652 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.9 p -62.77 -38.22 89.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 18.329999999999998 110.548 179.634 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.408 ' HA ' ' HG2' ' A' ' 67' ' ' LYS . 1.9 mm-40 -60.49 -37.53 81.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 21.039999999999999 110.731 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.79 -34.04 77.41 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.132 -0.486 . . . . 20.850000000000001 110.726 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.404 ' HA ' ' HG2' ' A' ' 69' ' ' MET . 48.2 t -81.99 -33.43 11.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 13.449999999999999 111.624 -179.757 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.408 ' HG2' ' HA ' ' A' ' 64' ' ' GLU . 14.0 ptmt -73.94 -30.37 62.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.981 0.42 . . . . 9.0700000000000003 110.384 179.672 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 13.7 ttmt -74.49 -44.22 52.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.848 -0.615 . . . . 19.82 110.445 179.619 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.404 ' HG2' ' HA ' ' A' ' 66' ' ' VAL . 6.4 ptt? -63.44 -37.47 87.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.26 -0.427 . . . . 10.99 110.261 179.575 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 46.9 t -70.69 -40.19 76.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.014 -0.539 . . . . 9.2599999999999998 110.309 179.234 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.427 ' O ' ' CB ' ' A' ' 75' ' ' LYS . 67.0 t80 -54.15 -59.69 4.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.057 -0.52 . . . . 22.23 110.224 179.446 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -53.33 -46.16 69.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 14.619999999999999 110.474 179.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.3 m -60.65 -70.23 0.19 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.22 -0.446 . . . . 8.2799999999999994 110.199 179.519 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.486 ' HB3' ' CE2' ' A' ' 78' ' ' TYR . 15.5 mt -51.41 -35.66 40.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 15.58 110.944 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.427 ' CB ' ' O ' ' A' ' 71' ' ' PHE . 8.3 tttt -55.43 -68.61 0.18 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.108 -0.496 . . . . 18.969999999999999 110.186 179.474 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.19 -31.21 72.3 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.651 -0.704 . . . . 18.82 110.76 179.677 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.411 ' HB3' ' HA ' ' A' ' 74' ' ' LEU . 1.7 tp -64.88 -46.13 83.07 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.421 -0.354 . . . . 20.719999999999999 110.457 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.486 ' CE2' ' HB3' ' A' ' 74' ' ' LEU . 21.2 m-30 -71.37 -23.2 61.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 29.260000000000002 110.595 179.523 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.1 tppp? -74.55 -28.99 61.19 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.326 -0.397 . . . . 26.18 110.507 179.608 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 2.2 mttm -68.29 -36.28 79.14 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.13 -0.486 . . . . 31.350000000000001 110.821 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -62.36 -61.78 2.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.076 -0.511 . . . . 34.060000000000002 110.879 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 52.1 p . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.203 -0.903 . . . . 41.280000000000001 110.894 -179.967 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.843 0.354 . . . . 49.240000000000002 111.202 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -153.93 179.68 8.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.462 . . . . 38.060000000000002 110.997 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -63.62 -23.84 67.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.077 -0.51 . . . . 32.399999999999999 111.042 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -52.13 -43.23 63.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.291 -0.413 . . . . 30.260000000000002 110.774 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -71.75 -49.44 39.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.018 -0.537 . . . . 31.399999999999999 110.516 179.672 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -54.97 -34.99 63.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 23.629999999999999 110.522 179.612 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 8.6 mt -65.45 -60.95 2.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.951 -0.568 . . . . 20.289999999999999 110.712 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -45.75 -32.66 2.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.941 -0.572 . . . . 21.140000000000001 111.182 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 46.7 t0 -65.05 -43.98 90.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.96 -0.564 . . . . 23.57 110.474 179.699 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 62.0 mm-40 -66.31 -34.99 79.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.108 -0.497 . . . . 17.48 110.496 179.63 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . 0.473 ' CB ' ' CD1' ' A' ' 74' ' ' LEU . 3.0 mm-40 -70.36 -45.76 65.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.058 -0.519 . . . . 12.210000000000001 110.574 179.572 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.03 -60.39 3.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.071 -0.513 . . . . 15.300000000000001 110.573 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -51.2 -33.05 25.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.313 -0.403 . . . . 11.67 110.407 179.612 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.35 -49.09 62.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.934 -0.575 . . . . 10.039999999999999 110.446 179.574 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 26.2 t -64.35 -32.74 58.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 7.5 111.003 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -59.61 -60.48 3.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.112 -0.495 . . . . 7.1600000000000001 110.795 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 20.1 tttt -53.91 -34.09 58.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.919 0.39 . . . . 15.31 110.666 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 69' ' ' MET . . . . . 0.43 ' CE ' ' HB3' ' D' ' 62' ' ' GLN . 47.8 ttp -65.6 -49.51 68.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.066 -0.515 . . . . 12.51 110.451 179.736 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 92.3 t -74.67 -24.38 18.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.97 -0.559 . . . . 14.949999999999999 110.935 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 28.3 t80 -61.43 -43.76 98.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.278 -0.419 . . . . 20.75 110.58 179.706 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -68.77 -43.46 75.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 26.390000000000001 110.581 179.746 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 73' ' ' THR . . . . . . . . . . . . . 88.9 m -57.87 -55.47 34.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.208 -0.451 . . . . 24.969999999999999 110.84 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 85.3 mt -54.06 -42.11 68.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 23.699999999999999 110.705 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.03 -42.33 60.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 25.120000000000001 110.699 179.8 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 76' ' ' ASP . . . . . 0.426 ' HA ' ' CD ' ' B' ' 79' ' ' LYS . 8.4 m-20 -80.05 -23.85 41.09 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.962 -0.563 . . . . 28.030000000000001 110.982 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . 0.472 ' CD1' ' CD1' ' C' ' 78' ' ' TYR . 26.4 mt -69.66 -35.04 74.82 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.215 -0.448 . . . . 28.91 111.13 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 78' ' ' TYR . . . . . 0.4 ' CD1' ' HB1' ' A' ' 55' ' ' ALA . 24.3 m-85 -81.18 -58.56 3.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.304 -0.407 . . . . 31.300000000000001 111.08 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 79' ' ' LYS . . . . . 0.426 ' CD ' ' HA ' ' B' ' 76' ' ' ASP . 1.5 pttt -48.36 -27.6 2.67 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.263 -0.426 . . . . 44.229999999999997 111.034 -179.801 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 7.3 ttmt -52.13 -53.63 40.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.312 -0.404 . . . . 38.950000000000003 110.776 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 2.0 t -109.5 80.55 1.33 Allowed 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 116.186 -0.461 . . . . 39.479999999999997 111.072 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.216 -0.897 . . . . 46.219999999999999 110.935 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.863 0.363 . . . . 46.409999999999997 111.099 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 53' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -62.38 88.55 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.134 -0.485 . . . . 39.780000000000001 111.012 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.87 -33.9 66.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 37.689999999999998 110.677 179.832 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.9 -39.95 87.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 33.520000000000003 110.578 179.595 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -67.6 -55.93 11.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.929 -0.578 . . . . 30.07 110.401 179.596 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.37 -42.59 91.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.865 -0.607 . . . . 33.340000000000003 110.386 179.539 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 14.8 mt -57.72 -47.39 82.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.829 -0.623 . . . . 25.719999999999999 110.669 179.664 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.74 -38.61 56.05 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.105 -0.498 . . . . 22.48 110.857 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.97 -28.57 64.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 26.149999999999999 110.631 179.825 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -78.78 -40.03 34.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 26.129999999999999 110.716 179.737 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 53.9 mm-40 -67.03 -40.21 87.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.01 -0.541 . . . . 24.609999999999999 110.451 179.638 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 63' ' ' SER . . . . . 0.417 ' HB2' ' CG ' ' D' ' 67' ' ' LYS . 4.9 p -62.86 -38.38 90.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.087 -0.506 . . . . 16.719999999999999 110.474 179.687 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 64' ' ' GLU . . . . . 0.405 ' HA ' ' HG2' ' C' ' 67' ' ' LYS . 1.9 mm-40 -60.33 -37.54 80.94 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.115 -0.493 . . . . 21.52 110.772 179.795 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 65' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.75 -34.2 77.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 16.23 110.782 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 66' ' ' VAL . . . . . 0.405 ' O ' ' HG2' ' C' ' 69' ' ' MET . 48.0 t -81.84 -33.39 11.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 12.710000000000001 111.66 -179.755 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 67' ' ' LYS . . . . . 0.405 ' HG2' ' HA ' ' C' ' 64' ' ' GLU . 14.0 ptmt -74.18 -30.08 62.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.93 0.395 . . . . 19.859999999999999 110.317 179.832 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 68' ' ' LYS . . . . . . . . . . . . . 13.7 ttmt -74.7 -44.25 51.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.916 -0.584 . . . . 17.52 110.434 179.6 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 69' ' ' MET . . . . . 0.405 ' HG2' ' O ' ' C' ' 66' ' ' VAL . 6.3 ptt? -63.28 -37.44 87.25 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.239 -0.437 . . . . 8.1899999999999995 110.233 179.467 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 48.0 t -70.81 -40.12 76.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.997 -0.547 . . . . 7.8099999999999996 110.298 179.28 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 71' ' ' PHE . . . . . 0.426 ' O ' ' CB ' ' C' ' 75' ' ' LYS . 66.5 t80 -54.26 -59.73 4.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 8.1500000000000004 110.168 179.485 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -53.2 -46.09 68.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.268 -0.424 . . . . 10.029999999999999 110.511 179.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 73' ' ' THR . . . . . . . . . . . . . 18.1 m -60.83 -70.28 0.19 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 14.48 110.209 179.586 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 74' ' ' LEU . . . . . 0.48 ' CD1' ' CB ' ' D' ' 62' ' ' GLN . 15.3 mt -51.43 -35.42 39.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.066 -0.515 . . . . 18.75 110.949 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 75' ' ' LYS . . . . . 0.426 ' CB ' ' O ' ' C' ' 71' ' ' PHE . 8.3 tttt -55.76 -68.4 0.21 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.204 -0.453 . . . . 18.370000000000001 110.218 179.465 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 76' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.13 -31.38 72.5 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.723 -0.671 . . . . 14.66 110.794 179.534 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 1.7 tp -64.65 -46.28 83.18 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.354 -0.384 . . . . 20.350000000000001 110.53 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 78' ' ' TYR . . . . . 0.472 ' CD1' ' CD1' ' B' ' 77' ' ' LEU . 21.2 m-30 -71.32 -23.21 61.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 23.5 110.641 179.568 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 1.1 tppp? -74.51 -29.18 61.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.298 -0.41 . . . . 29.870000000000001 110.491 179.525 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 2.2 mttm -67.94 -36.52 80.28 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.149 -0.478 . . . . 26.989999999999998 110.832 179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 81' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -62.26 -61.59 2.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.081 -0.509 . . . . 33.810000000000002 110.953 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 82' ' ' THR . . . . . . . . . . . . . 52.3 p . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.289 -0.862 . . . . 38.649999999999999 110.896 179.991 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' D' D ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.762 0.315 . . . . 47.609999999999999 111.241 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 53' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -153.91 179.59 8.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 42.469999999999999 111.043 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -63.56 -23.97 67.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 35.399999999999999 111.109 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 55' ' ' ALA . . . . . . . . . . . . . . . -52.06 -43.06 63.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.943 0.401 . . . . 35.469999999999999 110.82 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -71.87 -49.41 38.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.055 -0.52 . . . . 31.739999999999998 110.538 179.647 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 57' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -54.96 -35.13 63.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 34.600000000000001 110.516 179.596 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 58' ' ' LEU . . . . . . . . . . . . . 8.5 mt -65.37 -60.6 2.8 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.008 -0.542 . . . . 22.170000000000002 110.747 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 59' ' ' ALA . . . . . . . . . . . . . . . -46.21 -32.41 3.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.919 -0.582 . . . . 18.199999999999999 111.091 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 60' ' ' ASP . . . . . . . . . . . . . 46.9 t0 -65.23 -44.2 88.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.095 -0.502 . . . . 19.420000000000002 110.481 179.649 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 61' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 -65.84 -35.16 79.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 13.42 110.5 179.617 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 62' ' ' GLN . . . . . 0.48 ' CB ' ' CD1' ' C' ' 74' ' ' LEU . 2.9 mm-40 -70.22 -46.5 64.39 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.86 -0.609 . . . . 15.220000000000001 110.513 179.643 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 63' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.35 -60.35 3.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.087 -0.506 . . . . 16.739999999999998 110.652 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 64' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -51.2 -33.17 26.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.26 -0.427 . . . . 16.27 110.422 179.658 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.22 -49.18 62.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.994 -0.548 . . . . 9.0800000000000001 110.424 179.492 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 66' ' ' VAL . . . . . . . . . . . . . 27.4 t -64.2 -32.84 59.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.169 -0.469 . . . . 9.75 111.018 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 67' ' ' LYS . . . . . 0.417 ' CG ' ' HB2' ' C' ' 63' ' ' SER . 0.9 OUTLIER -59.57 -60.31 4.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.05 -0.523 . . . . 21.640000000000001 110.873 179.939 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' D' D ' 68' ' ' LYS . . . . . . . . . . . . . 20.1 tttt -54.0 -34.21 59.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.425 . . . . 16.059999999999999 110.662 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 69' ' ' MET . . . . . 0.418 ' CE ' ' HB3' ' B' ' 62' ' ' GLN . 47.0 ttp -65.44 -49.29 69.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.063 -0.517 . . . . 11.970000000000001 110.569 179.632 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 70' ' ' VAL . . . . . . . . . . . . . 93.6 t -74.85 -24.39 18.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.953 -0.567 . . . . 13.970000000000001 110.991 179.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 28.5 t80 -61.38 -43.84 98.17 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.3 -0.409 . . . . 22.629999999999999 110.55 179.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -68.73 -43.38 76.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.066 -0.515 . . . . 25.379999999999999 110.73 179.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 73' ' ' THR . . . . . . . . . . . . . 87.8 m -57.99 -55.4 35.35 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.162 -0.472 . . . . 20.289999999999999 110.826 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 74' ' ' LEU . . . . . . . . . . . . . 85.4 mt -54.01 -42.24 68.88 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.138 -0.483 . . . . 24.789999999999999 110.746 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 75' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -50.86 -42.3 58.75 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.17 -0.468 . . . . 30.699999999999999 110.755 179.78 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 76' ' ' ASP . . . . . 0.428 ' HA ' ' CD ' ' D' ' 79' ' ' LYS . 8.5 m-20 -79.96 -24.23 41.12 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.99 -0.55 . . . . 30.789999999999999 111.023 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 77' ' ' LEU . . . . . 0.465 ' CD1' ' CD1' ' A' ' 78' ' ' TYR . 26.3 mt -69.31 -35.24 75.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.138 -0.483 . . . . 29.23 111.06 -179.848 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 78' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -81.13 -58.26 3.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.275 -0.421 . . . . 34.479999999999997 111.156 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 79' ' ' LYS . . . . . 0.428 ' CD ' ' HA ' ' D' ' 76' ' ' ASP . 1.5 pttt -48.69 -27.36 2.84 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.229 -0.442 . . . . 39.840000000000003 111.008 -179.842 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 80' ' ' LYS . . . . . . . . . . . . . 7.3 ttmt -52.39 -53.56 43.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 43.030000000000001 110.785 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 81' ' ' THR . . . . . . . . . . . . . 2.0 t -109.53 80.56 1.33 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.156 -0.474 . . . . 42.560000000000002 110.996 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 82' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.22 -0.895 . . . . 50.509999999999998 110.905 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 10.9 ttm-85 . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.77 0.319 . . . . 46.869999999999997 111.178 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 48.1 t-20 -150.86 64.97 0.92 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.45 . . . . 42.979999999999997 110.879 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -53.34 -29.54 34.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 39.979999999999997 110.822 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.41 -44.61 94.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.323 -0.399 . . . . 36.420000000000002 110.785 179.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 77.3 tt0 -62.48 -51.23 68.28 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.135 -0.484 . . . . 31.620000000000001 110.437 179.598 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 2.7 ttp180 -64.11 -46.88 82.25 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.875 -0.602 . . . . 39.780000000000001 110.386 179.587 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 14.6 mt -53.95 -46.41 71.57 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.881 -0.6 . . . . 28.670000000000002 110.551 179.581 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.65 -41.91 61.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.07 -0.514 . . . . 20.850000000000001 110.609 179.701 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -66.1 -32.23 73.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.888 -0.596 . . . . 21.079999999999998 110.515 179.617 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -68.86 -45.87 69.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.079 -0.509 . . . . 22.449999999999999 110.615 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 38.4 mm-40 -63.68 -38.11 89.87 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.029 -0.532 . . . . 25.469999999999999 110.487 179.645 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.7 m -62.48 -40.39 96.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.02 -0.537 . . . . 18.050000000000001 110.543 179.642 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -59.1 -36.59 75.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.019 -0.537 . . . . 25.960000000000001 110.6 179.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.1 mt -63.8 -41.35 97.93 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.028 -0.533 . . . . 19.0 110.74 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 36.9 t -74.71 -45.36 44.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 15.470000000000001 110.71 179.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.7 tttm -58.5 -56.37 23.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.007 -0.542 . . . . 12.83 110.57 179.647 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.39 -31.28 61.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.263 -0.426 . . . . 13.99 110.483 179.76 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 66.5 ttp -69.62 -39.18 77.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.038 -0.528 . . . . 8.9299999999999997 110.665 179.709 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 70.2 t -74.24 -35.74 41.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.05 -0.523 . . . . 10.06 110.869 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.43 ' O ' ' CB ' ' A' ' 75' ' ' LYS . 56.3 t80 -56.25 -63.68 1.11 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.4 -0.364 . . . . 14.380000000000001 110.517 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -51.05 -40.32 58.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.37 -0.377 . . . . 12.67 110.643 179.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 21.7 m -66.44 -73.34 0.13 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.242 -0.435 . . . . 12.109999999999999 110.385 179.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.477 ' CD1' ' CB ' ' B' ' 62' ' ' GLN . 17.4 mt -49.57 -36.85 25.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.035 -0.53 . . . . 15.23 111.028 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.43 ' CB ' ' O ' ' A' ' 71' ' ' PHE . 10.4 tttt -57.32 -67.51 0.32 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.192 0.52 . . . . 13.74 109.971 179.332 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.16 -26.89 69.02 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.558 -0.746 . . . . 17.030000000000001 110.786 179.699 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.407 ' HB3' ' HA ' ' A' ' 74' ' ' LEU . 0.6 OUTLIER -68.21 -59.75 2.98 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.43 -0.35 . . . . 21.289999999999999 110.437 179.831 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.522 ' CD1' ' CD1' ' D' ' 77' ' ' LEU . 20.0 m-85 -60.21 -24.49 64.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.881 0.372 . . . . 26.949999999999999 110.38 179.372 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 8.4 tttt -66.11 -35.62 80.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 26.489999999999998 110.39 179.571 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.95 -30.36 69.64 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.004 -0.544 . . . . 27.649999999999999 110.888 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.0 -78.37 0.06 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.147 -0.478 . . . . 34.380000000000003 110.879 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.8 p . . . . . 0 C--O 1.248 0.985 0 CA-C-O 118.201 -0.904 . . . . 39.75 110.893 -179.999 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 3.2 mmt-85 . . . . . 0 N--CA 1.487 1.402 0 CA-C-O 120.828 0.347 . . . . 48.920000000000002 111.116 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -148.08 173.75 12.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.075 -0.512 . . . . 40.340000000000003 110.809 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.93 -17.47 62.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 33.460000000000001 111.454 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -48.96 -39.02 24.81 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.908 0.385 . . . . 31.199999999999999 111.211 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -77.48 -48.27 17.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.146 -0.479 . . . . 31.629999999999999 110.686 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 20.2 mmm180 -54.02 -35.71 62.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.015 0.436 . . . . 29.309999999999999 110.388 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . 0.419 ' O ' ' CG ' ' B' ' 62' ' ' GLN . 13.3 mt -65.59 -63.86 1.0 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.916 -0.584 . . . . 22.73 110.842 179.814 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -46.69 -27.39 1.16 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.836 -0.62 . . . . 21.16 111.326 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.02 -60.75 2.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 20.079999999999998 110.92 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -60.11 -24.43 64.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.308 -0.406 . . . . 12.699999999999999 110.628 179.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . 0.477 ' CB ' ' CD1' ' A' ' 74' ' ' LEU . 2.4 mm-40 -72.79 -43.99 62.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.099 -0.5 . . . . 11.4 111.011 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 1.4 m -64.39 -59.33 4.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.331 -0.395 . . . . 17.390000000000001 110.817 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -48.96 -33.41 10.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.47 . . . . 17.710000000000001 110.934 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.97 -44.0 86.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.056 -0.52 . . . . 11.460000000000001 110.898 179.77 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 3.4 t -62.99 -35.24 70.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.09 -0.505 . . . . 10.199999999999999 111.392 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.56 -54.3 47.12 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.268 -0.424 . . . . 16.789999999999999 110.982 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 14.4 tttt -54.43 -35.82 63.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.304 -0.407 . . . . 10.44 111.005 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 69' ' ' MET . . . . . . . . . . . . . 40.1 ttp -68.87 -50.93 45.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 11.25 110.828 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 58.7 t -75.02 -20.04 16.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 11.02 111.367 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -66.63 -43.99 83.2 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.884 0.373 . . . . 18.27 110.689 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -68.65 -43.26 76.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 23.829999999999998 110.707 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 73' ' ' THR . . . . . 0.406 ' OG1' ' NE2' ' D' ' 62' ' ' GLN . 55.8 m -56.16 -55.94 27.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 23.620000000000001 110.935 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 24.5 mt -49.96 -41.09 45.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.434 . . . . 27.350000000000001 110.925 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.63 -47.03 63.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.968 0.414 . . . . 30.940000000000001 110.561 179.773 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.93 -32.09 67.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.907 -0.588 . . . . 28.859999999999999 110.532 179.675 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . 0.494 ' CD1' ' CD1' ' C' ' 78' ' ' TYR . 20.3 mt -61.51 -53.19 59.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.972 -0.558 . . . . 29.219999999999999 110.684 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -73.94 -36.56 64.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.082 -0.508 . . . . 34.299999999999997 110.707 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.42 -23.56 67.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.083 -0.508 . . . . 41.43 111.043 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -69.98 -22.59 63.13 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.32 -0.4 . . . . 42.450000000000003 110.976 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 8.6 t -157.21 68.27 0.54 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.368 -0.378 . . . . 40.859999999999999 110.883 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 1.6 t . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.137 -0.935 . . . . 49.390000000000001 110.974 -179.983 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 52' ' ' ARG . . . . . . . . . . . . . 10.6 ttm-85 . . . . . 0 N--CA 1.485 1.324 0 CA-C-O 120.793 0.33 . . . . 48.93 111.165 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 53' ' ' ASN . . . . . . . . . . . . . 48.1 t-20 -150.8 65.12 0.92 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 37.25 110.913 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -53.49 -29.39 35.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 39.450000000000003 110.848 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.6 -44.21 94.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 31.66 110.753 179.768 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 77.6 tt0 -62.92 -51.04 68.47 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.232 -0.44 . . . . 28.260000000000002 110.407 179.676 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 57' ' ' ARG . . . . . . . . . . . . . 2.8 ttp180 -64.21 -46.76 82.48 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.873 -0.603 . . . . 28.460000000000001 110.394 179.537 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 14.7 mt -54.02 -46.6 71.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.815 -0.63 . . . . 30.690000000000001 110.571 179.583 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.42 -42.0 61.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 26.289999999999999 110.677 179.634 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 27.8 t0 -66.07 -32.18 73.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.923 -0.58 . . . . 25.780000000000001 110.518 179.583 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -68.83 -45.81 70.19 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.085 -0.507 . . . . 26.640000000000001 110.611 179.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 38.4 mm-40 -63.79 -37.88 89.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.0 -0.546 . . . . 19.68 110.524 179.657 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 63' ' ' SER . . . . . . . . . . . . . 3.6 m -62.65 -40.36 96.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.021 -0.536 . . . . 16.370000000000001 110.493 179.608 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -59.12 -36.63 75.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 15.390000000000001 110.591 179.702 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 65' ' ' LEU . . . . . . . . . . . . . 1.2 mt -63.6 -41.49 98.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.079 -0.51 . . . . 18.84 110.765 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 66' ' ' VAL . . . . . . . . . . . . . 38.5 t -74.54 -45.53 45.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 9.7799999999999994 110.739 179.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 67' ' ' LYS . . . . . . . . . . . . . 13.4 tttm -58.61 -56.01 27.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.972 -0.558 . . . . 18.420000000000002 110.582 179.752 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.59 -31.55 62.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 21.93 110.387 179.683 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 69' ' ' MET . . . . . . . . . . . . . 66.5 ttp -69.46 -39.2 77.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.086 -0.506 . . . . 9.4900000000000002 110.631 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 74.2 t -74.07 -35.97 43.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.075 -0.511 . . . . 6.5700000000000003 110.933 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 71' ' ' PHE . . . . . 0.422 ' O ' ' CB ' ' C' ' 75' ' ' LYS . 56.0 t80 -56.03 -63.9 1.03 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.395 -0.366 . . . . 19.510000000000002 110.569 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -50.97 -40.33 57.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.352 -0.385 . . . . 11.59 110.623 179.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 73' ' ' THR . . . . . . . . . . . . . 22.3 m -66.54 -73.32 0.14 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.295 -0.412 . . . . 11.49 110.393 179.652 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 74' ' ' LEU . . . . . 0.445 ' CD1' ' CB ' ' D' ' 62' ' ' GLN . 16.6 mt -49.51 -36.99 24.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 19.140000000000001 110.977 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 75' ' ' LYS . . . . . 0.422 ' CB ' ' O ' ' C' ' 71' ' ' PHE . 10.4 tttt -57.21 -67.48 0.32 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.228 0.537 . . . . 21.620000000000001 110.055 179.355 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 76' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.16 -26.84 69.0 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.465 -0.789 . . . . 16.850000000000001 110.804 179.677 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 77' ' ' LEU . . . . . 0.416 ' HB3' ' HA ' ' C' ' 74' ' ' LEU . 0.6 OUTLIER -68.39 -59.65 3.02 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.309 -0.405 . . . . 20.59 110.389 179.938 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' C' C ' 78' ' ' TYR . . . . . 0.494 ' CD1' ' CD1' ' B' ' 77' ' ' LEU . 20.0 m-85 -60.17 -24.61 64.89 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.887 0.375 . . . . 26.960000000000001 110.369 179.391 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 8.3 tttt -65.91 -35.7 81.35 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.06 -0.518 . . . . 27.300000000000001 110.439 179.595 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.94 -30.25 69.51 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.977 -0.556 . . . . 30.620000000000001 110.942 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.13 -78.33 0.06 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.136 -0.484 . . . . 34.060000000000002 110.819 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 82' ' ' THR . . . . . . . . . . . . . 3.9 p . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.227 -0.892 . . . . 43.280000000000001 110.902 179.992 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' D' D ' 52' ' ' ARG . . . . . . . . . . . . . 3.2 mmt-85 . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.837 0.351 . . . . 48.520000000000003 111.229 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' D' D ' 53' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -148.2 173.82 12.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.114 -0.494 . . . . 40.0 110.822 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.0 -17.35 62.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.178 -0.465 . . . . 33.509999999999998 111.426 -179.777 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 55' ' ' ALA . . . . . . . . . . . . . . . -49.06 -39.09 26.27 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.853 0.359 . . . . 33.399999999999999 111.213 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -77.37 -48.3 17.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.489 . . . . 30.649999999999999 110.725 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 57' ' ' ARG . . . . . . . . . . . . . 20.2 mmm180 -53.94 -35.7 62.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.284 -0.416 . . . . 23.289999999999999 110.418 179.72 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 58' ' ' LEU . . . . . 0.428 ' O ' ' CG ' ' D' ' 62' ' ' GLN . 13.6 mt -65.63 -63.65 1.04 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.885 -0.598 . . . . 19.129999999999999 110.73 179.845 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 59' ' ' ALA . . . . . . . . . . . . . . . -46.8 -27.59 1.26 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.841 -0.618 . . . . 18.789999999999999 111.35 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 60' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.73 -61.02 1.99 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.174 -0.466 . . . . 24.890000000000001 110.767 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 61' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -59.94 -24.43 64.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 16.899999999999999 110.707 179.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 62' ' ' GLN . . . . . 0.445 ' CB ' ' CD1' ' C' ' 74' ' ' LEU . 2.4 mm-40 -72.64 -43.89 62.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.096 -0.502 . . . . 15.93 110.969 179.819 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 63' ' ' SER . . . . . . . . . . . . . 1.4 m -64.89 -58.79 5.23 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.348 -0.387 . . . . 14.44 110.992 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 64' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -49.33 -33.33 13.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 8.8499999999999996 110.811 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.13 -44.14 85.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.007 -0.542 . . . . 7.4199999999999999 110.841 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 66' ' ' VAL . . . . . . . . . . . . . 3.4 t -62.9 -35.12 69.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 7.1799999999999997 111.411 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 67' ' ' LYS . . . . . 0.417 ' O ' ' N ' ' D' ' 71' ' ' PHE . 0.2 OUTLIER -60.68 -54.23 47.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.238 -0.437 . . . . 16.100000000000001 111.047 -179.866 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' D' D ' 68' ' ' LYS . . . . . . . . . . . . . 14.4 tttt -54.46 -35.78 63.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.349 -0.387 . . . . 20.129999999999999 111.005 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 69' ' ' MET . . . . . . . . . . . . . 40.5 ttp -68.73 -50.89 46.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.181 -0.463 . . . . 13.42 110.874 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 70' ' ' VAL . . . . . . . . . . . . . 58.5 t -74.97 -20.38 16.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 16.050000000000001 111.464 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 71' ' ' PHE . . . . . 0.417 ' N ' ' O ' ' D' ' 67' ' ' LYS . 23.2 t80 -66.21 -44.21 84.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.889 0.376 . . . . 26.379999999999999 110.649 179.788 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -68.52 -43.47 76.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.097 -0.502 . . . . 29.170000000000002 110.749 179.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 73' ' ' THR . . . . . . . . . . . . . 55.5 m -55.92 -55.89 27.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.102 -0.499 . . . . 22.579999999999998 110.983 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 74' ' ' LEU . . . . . . . . . . . . . 24.4 mt -50.13 -41.01 47.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 21.239999999999998 111.001 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.71 -46.64 63.98 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.303 -0.408 . . . . 26.879999999999999 110.58 179.739 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 76' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.18 -32.16 66.58 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.991 -0.549 . . . . 31.43 110.591 179.628 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 77' ' ' LEU . . . . . 0.522 ' CD1' ' CD1' ' A' ' 78' ' ' TYR . 20.3 mt -61.46 -53.22 59.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.985 -0.552 . . . . 30.809999999999999 110.705 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 78' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -73.83 -36.53 64.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.066 -0.515 . . . . 32.729999999999997 110.774 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.46 -23.66 67.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.057 -0.52 . . . . 40.740000000000002 111.015 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 80' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -69.85 -22.53 63.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.332 -0.394 . . . . 40.079999999999998 111.042 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 81' ' ' THR . . . . . . . . . . . . . 8.5 t -157.42 68.45 0.53 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.311 -0.404 . . . . 41.710000000000001 110.818 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 82' ' ' THR . . . . . . . . . . . . . 1.6 t . . . . . 0 C--O 1.247 0.973 0 CA-C-O 118.335 -0.84 . . . . 46.829999999999998 110.839 179.944 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.804 0.335 . . . . 48.780000000000001 111.209 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -160.46 59.58 0.33 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 37.479999999999997 110.842 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -47.54 -31.83 4.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.05 -0.523 . . . . 37.759999999999998 111.161 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.07 -41.4 92.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.364 -0.38 . . . . 31.359999999999999 111.093 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -66.12 -53.21 40.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.361 -0.381 . . . . 27.890000000000001 110.657 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 72.0 mtt-85 -62.46 -45.72 91.78 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.069 -0.514 . . . . 26.59 110.47 179.606 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 13.0 mt -53.75 -49.14 68.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.721 -0.672 . . . . 28.84 110.755 179.681 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -52.23 -40.83 62.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.171 -0.468 . . . . 25.559999999999999 110.775 179.714 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -71.4 -27.71 63.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.073 -0.512 . . . . 26.629999999999999 110.54 179.638 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -76.03 -51.47 12.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.034 -0.53 . . . . 27.309999999999999 110.673 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 63.0 mm-40 -55.08 -46.38 75.44 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.879 -0.6 . . . . 20.010000000000002 110.7 179.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 20.2 p -61.96 -42.4 99.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.217 -0.447 . . . . 16.059999999999999 110.507 179.649 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -52.69 -36.26 56.86 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.121 -0.491 . . . . 16.800000000000001 110.361 179.549 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.6 mt -67.71 -41.55 83.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.996 -0.547 . . . . 17.82 110.421 179.539 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 44.7 t -67.15 -41.51 87.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.058 -0.519 . . . . 10.57 110.707 179.511 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -63.7 -45.85 88.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.022 -0.536 . . . . 20.109999999999999 110.549 179.737 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 31.2 ttpt -58.98 -35.7 73.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.104 -0.498 . . . . 22.739999999999998 110.487 179.702 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 30.9 ttp -67.41 -39.54 85.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.001 -0.545 . . . . 8.2899999999999991 110.632 179.665 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 94.8 t -71.37 -42.59 73.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.054 -0.521 . . . . 5.5800000000000001 110.949 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.473 ' CZ ' ' HD3' ' A' ' 75' ' ' LYS . 59.2 t80 -51.55 -62.98 1.29 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.833 0.349 . . . . 16.870000000000001 110.459 179.801 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -51.23 -43.27 61.42 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.232 -0.44 . . . . 9.5500000000000007 110.631 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 20.6 m -66.67 -71.15 0.21 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.471 . . . . 12.779999999999999 110.414 179.668 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.479 ' HB3' ' CE2' ' A' ' 78' ' ' TYR . 15.6 mt -48.32 -36.09 13.62 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.13 -0.486 . . . . 19.59 110.971 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.473 ' HD3' ' CZ ' ' A' ' 71' ' ' PHE . 0.1 OUTLIER -56.81 -66.37 0.46 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 24.129999999999999 110.185 179.555 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -64.89 -28.4 69.51 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.712 -0.676 . . . . 15.76 110.932 179.742 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.412 ' HB3' ' HA ' ' A' ' 74' ' ' LEU . 0.9 OUTLIER -66.86 -57.7 6.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.281 -0.418 . . . . 20.879999999999999 110.548 179.925 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.479 ' CE2' ' HB3' ' A' ' 74' ' ' LEU . 22.1 m-85 -61.54 -25.53 67.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.451 . . . . 25.940000000000001 110.65 179.831 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 11.7 mmtt -71.12 -30.01 65.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 28.039999999999999 110.702 179.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.14 -36.34 72.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.13 -0.486 . . . . 29.989999999999998 110.988 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -56.88 -78.1 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 33.82 110.876 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.408 ' CG2' HD23 ' D' ' 77' ' ' LEU . 5.7 p . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.236 -0.888 . . . . 41.990000000000002 110.863 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 32.4 mtt180 . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.773 0.32 . . . . 43.600000000000001 111.254 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -139.41 23.84 2.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 40.409999999999997 110.931 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.73 -28.14 69.39 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.317 -0.401 . . . . 34.289999999999999 110.76 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.97 -40.09 72.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.081 -0.509 . . . . 34.030000000000001 111.071 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -68.71 -42.61 77.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 31.379999999999999 110.784 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 11.1 mtm180 -62.94 -33.98 76.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 23.48 110.753 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . 0.44 ' CD1' ' CG2' ' D' ' 73' ' ' THR . 91.9 mt -71.23 -51.38 24.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.098 -0.501 . . . . 19.43 110.734 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.0 -31.75 19.07 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.975 -0.557 . . . . 18.879999999999999 111.096 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 63.0 t0 -81.41 -51.71 8.03 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.189 -0.459 . . . . 22.870000000000001 110.927 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -59.05 -41.57 88.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.19 -0.459 . . . . 16.489999999999998 110.789 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . 0.426 ' HB3' ' CD1' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -73.34 -42.05 62.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 16.030000000000001 111.131 -179.933 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 96.6 p -65.66 -55.76 15.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.414 -0.357 . . . . 14.529999999999999 110.953 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -50.21 -37.12 33.72 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.263 -0.426 . . . . 9.5899999999999999 110.696 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.97 -44.5 94.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.065 -0.516 . . . . 6.8399999999999999 110.559 179.673 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 56.1 t -56.06 -32.67 34.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.276 -0.42 . . . . 7.96 110.782 179.647 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.81 -54.29 44.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.074 -0.512 . . . . 18.73 110.823 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 6.3 tttt -57.99 -34.54 70.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.343 -0.389 . . . . 19.75 110.651 179.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 69' ' ' MET . . . . . . . . . . . . . 25.0 ttp -70.46 -49.93 43.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.002 -0.544 . . . . 12.94 110.763 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 98.4 t -74.37 -22.74 17.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 15.380000000000001 110.9 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -64.52 -41.76 96.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.361 -0.382 . . . . 26.530000000000001 110.589 179.754 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -69.81 -43.13 72.69 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.193 -0.458 . . . . 27.829999999999998 110.646 179.722 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 73' ' ' THR . . . . . 0.423 HG22 ' CD2' ' D' ' 58' ' ' LEU . 90.9 m -54.76 -56.39 19.76 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.144 -0.48 . . . . 21.129999999999999 110.815 179.764 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 10.0 mt -54.27 -41.03 68.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.291 -0.413 . . . . 21.16 110.696 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.72 -41.05 55.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 27.739999999999998 110.656 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.19 -26.11 39.37 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.987 -0.552 . . . . 30.550000000000001 110.707 179.808 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 27.9 mt -68.33 -36.2 78.93 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.067 -0.515 . . . . 30.300000000000001 110.936 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -81.72 -61.59 1.88 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 33.549999999999997 110.971 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.48 -29.28 6.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 40.100000000000001 111.107 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.55 -71.86 0.06 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.329 -0.396 . . . . 41.32 111.011 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 10.3 t -79.04 64.14 3.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 41.979999999999997 111.016 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 9.0 t . . . . . 0 C--O 1.248 0.987 0 CA-C-O 118.249 -0.882 . . . . 50.149999999999999 110.947 179.973 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.88 0.371 . . . . 47.240000000000002 111.138 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -160.33 59.54 0.34 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.494 . . . . 42.920000000000002 110.816 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -47.56 -31.75 4.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.124 -0.489 . . . . 40.859999999999999 111.138 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.08 -41.43 92.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.41 -0.359 . . . . 35.409999999999997 111.134 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -65.9 -53.37 40.37 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.981 0.42 . . . . 31.23 110.658 179.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 57' ' ' ARG . . . . . . . . . . . . . 72.1 mtt-85 -62.37 -45.75 91.75 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.032 -0.531 . . . . 38.590000000000003 110.411 179.697 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 13.1 mt -53.78 -49.04 69.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.841 -0.618 . . . . 29.559999999999999 110.72 179.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -52.39 -40.53 62.19 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.123 -0.49 . . . . 20.41 110.833 179.751 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -71.68 -27.79 63.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.494 . . . . 18.84 110.456 179.718 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -75.88 -51.58 12.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.03 -0.532 . . . . 20.870000000000001 110.68 179.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 62' ' ' GLN . . . . . 0.414 ' HB2' ' CD1' ' D' ' 74' ' ' LEU . 63.1 mm-40 -54.99 -46.44 75.15 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.924 -0.58 . . . . 24.289999999999999 110.61 179.809 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 63' ' ' SER . . . . . . . . . . . . . 19.6 p -61.91 -42.25 98.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.425 . . . . 18.050000000000001 110.453 179.685 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -52.94 -36.13 59.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 26.039999999999999 110.338 179.588 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 65' ' ' LEU . . . . . . . . . . . . . 3.6 mt -68.0 -41.28 82.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.027 -0.533 . . . . 19.59 110.4 179.616 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 66' ' ' VAL . . . . . . . . . . . . . 44.9 t -67.43 -41.38 86.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.109 -0.496 . . . . 16.390000000000001 110.608 179.549 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 67' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -63.7 -46.0 87.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.983 -0.553 . . . . 9.8399999999999999 110.497 179.668 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 68' ' ' LYS . . . . . . . . . . . . . 31.1 ttpt -58.79 -35.79 73.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 14.34 110.385 179.693 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 69' ' ' MET . . . . . . . . . . . . . 30.6 ttp -67.47 -39.5 85.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.035 -0.529 . . . . 9.6699999999999999 110.624 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 70' ' ' VAL . . . . . 0.403 ' CG1' ' HG ' ' C' ' 74' ' ' LEU . 93.0 t -71.46 -42.3 72.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.065 -0.516 . . . . 10.69 110.98 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 71' ' ' PHE . . . . . 0.47 ' CZ ' ' HD3' ' C' ' 75' ' ' LYS . 59.4 t80 -51.81 -62.78 1.42 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.459 -0.337 . . . . 16.84 110.512 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -51.27 -43.23 61.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.279 -0.419 . . . . 13.109999999999999 110.641 179.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 73' ' ' THR . . . . . . . . . . . . . 20.7 m -66.75 -71.2 0.21 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 10.65 110.389 179.691 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 74' ' ' LEU . . . . . 0.484 ' HB3' ' CE2' ' C' ' 78' ' ' TYR . 15.6 mt -48.16 -36.16 13.02 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.076 -0.511 . . . . 14.380000000000001 111.04 179.822 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 75' ' ' LYS . . . . . 0.47 ' HD3' ' CZ ' ' C' ' 71' ' ' PHE . 0.1 OUTLIER -56.76 -66.32 0.46 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.185 -0.462 . . . . 14.449999999999999 110.2 179.507 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' C' C ' 76' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -65.0 -28.49 69.54 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.686 -0.688 . . . . 17.710000000000001 110.855 179.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 77' ' ' LEU . . . . . 0.4 ' HB3' ' HA ' ' C' ' 74' ' ' LEU . 0.9 OUTLIER -66.77 -57.64 6.67 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.344 -0.389 . . . . 21.190000000000001 110.551 179.916 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' C' C ' 78' ' ' TYR . . . . . 0.484 ' CE2' ' HB3' ' C' ' 74' ' ' LEU . 22.2 m-85 -61.63 -25.54 67.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 27.41 110.68 179.83 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 11.7 mmtt -71.19 -29.85 65.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 27.120000000000001 110.617 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.25 -36.26 71.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 29.329999999999998 111.031 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -56.96 -78.1 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 34.100000000000001 110.789 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 82' ' ' THR . . . . . . . . . . . . . 5.5 p . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.271 -0.871 . . . . 39.719999999999999 110.913 179.978 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' D' D ' 52' ' ' ARG . . . . . . . . . . . . . 31.8 mtt180 . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.863 0.363 . . . . 44.899999999999999 111.232 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' D' D ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -139.12 23.84 2.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 38.219999999999999 110.867 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.76 -28.02 69.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.295 -0.411 . . . . 33.530000000000001 110.803 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.08 -39.94 72.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.485 . . . . 30.43 111.089 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -68.9 -42.55 76.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.102 -0.499 . . . . 33.850000000000001 110.824 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 57' ' ' ARG . . . . . . . . . . . . . 11.0 mtm180 -62.91 -34.19 76.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.071 -0.513 . . . . 27.32 110.746 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 58' ' ' LEU . . . . . 0.423 ' CD2' HG22 ' B' ' 73' ' ' THR . 91.6 mt -70.93 -51.9 23.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.495 . . . . 22.449999999999999 110.749 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 59' ' ' ALA . . . . . . . . . . . . . . . -50.72 -31.57 16.97 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.836 -0.62 . . . . 22.050000000000001 111.119 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 60' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -81.46 -51.73 7.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.322 -0.399 . . . . 18.690000000000001 110.894 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 61' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -59.14 -41.54 88.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 13.41 110.828 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 62' ' ' GLN . . . . . 0.441 ' HB3' ' CD1' ' C' ' 74' ' ' LEU . 0.0 OUTLIER -73.25 -42.13 62.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.451 . . . . 11.08 111.156 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' D' D ' 63' ' ' SER . . . . . . . . . . . . . 96.0 p -65.62 -55.68 16.3 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.427 -0.352 . . . . 16.66 110.926 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 64' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -50.43 -36.82 34.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.307 -0.406 . . . . 18.41 110.768 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 65' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.16 -44.35 95.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.023 -0.535 . . . . 11.19 110.511 179.673 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 66' ' ' VAL . . . . . . . . . . . . . 56.7 t -56.3 -32.43 35.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 9.4399999999999995 110.769 179.716 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.04 -54.38 42.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.092 -0.504 . . . . 12.949999999999999 110.762 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 68' ' ' LYS . . . . . . . . . . . . . 6.3 tttt -57.84 -34.53 69.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.293 -0.412 . . . . 11.300000000000001 110.589 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 69' ' ' MET . . . . . . . . . . . . . 25.3 ttp -70.55 -49.97 42.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.037 -0.529 . . . . 11.029999999999999 110.772 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 70' ' ' VAL . . . . . . . . . . . . . 96.5 t -74.28 -22.73 18.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 10.66 110.983 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 87.5 t80 -64.5 -41.99 96.11 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.334 -0.394 . . . . 17.949999999999999 110.604 179.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -69.75 -42.97 73.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.025 -0.534 . . . . 23.379999999999999 110.595 179.739 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 73' ' ' THR . . . . . 0.44 ' CG2' ' CD1' ' B' ' 58' ' ' LEU . 89.6 m -54.76 -56.55 18.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 24.16 110.865 179.752 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 74' ' ' LEU . . . . . 0.414 ' CD1' ' HB2' ' C' ' 62' ' ' GLN . 9.9 mt -54.22 -40.85 68.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 27.190000000000001 110.755 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.94 -40.72 58.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 29.09 110.637 179.84 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 76' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.45 -25.98 38.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.022 -0.536 . . . . 28.149999999999999 110.726 179.69 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 77' ' ' LEU . . . . . 0.408 ' CD1' ' CD1' ' A' ' 78' ' ' TYR . 28.0 mt -68.56 -36.03 78.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.084 -0.507 . . . . 28.370000000000001 110.982 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 78' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -81.96 -61.42 1.92 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 34.030000000000001 110.987 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.52 -29.39 6.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.467 . . . . 43.759999999999998 111.147 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.54 -71.86 0.06 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.256 -0.429 . . . . 42.579999999999998 110.939 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 81' ' ' THR . . . . . . . . . . . . . 10.2 t -79.04 64.23 3.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.436 . . . . 41.82 111.098 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 82' ' ' THR . . . . . . . . . . . . . 9.0 t . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.277 -0.868 . . . . 51.579999999999998 110.881 -179.961 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 49.3 mtt180 . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.851 0.358 . . . . 48.229999999999997 111.203 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -116.14 84.46 2.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.246 -0.434 . . . . 36.719999999999999 110.834 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -69.41 -40.52 77.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 38.619999999999997 110.975 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -53.82 -31.15 48.2 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.412 -0.358 . . . . 31.350000000000001 110.915 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -78.52 -50.79 10.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.467 . . . . 27.920000000000002 110.579 179.673 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.18 -45.05 94.42 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.901 -0.591 . . . . 29.649999999999999 110.464 179.628 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.418 ' HB3' ' CE2' ' B' ' 78' ' ' TYR . 27.9 mt -55.59 -53.28 58.4 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.731 -0.668 . . . . 32.07 110.721 179.769 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -49.76 -34.64 19.74 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.171 -0.468 . . . . 25.25 110.967 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -76.66 -29.03 56.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.093 -0.503 . . . . 24.609999999999999 110.676 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -74.36 -59.65 2.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.021 -0.536 . . . . 25.399999999999999 110.744 179.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.406 ' HB2' ' CD1' ' B' ' 74' ' ' LEU . 42.3 mm-40 -51.0 -45.62 61.22 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.99 -0.55 . . . . 18.960000000000001 110.786 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 26.0 p -60.71 -43.56 97.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.197 -0.456 . . . . 15.960000000000001 110.808 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.27 -36.59 71.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.434 . . . . 17.010000000000002 110.714 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 23.6 mt -65.13 -36.63 84.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.429 . . . . 19.82 110.431 179.578 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 58.3 t -70.45 -42.65 78.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.006 -0.543 . . . . 11.390000000000001 110.934 179.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.441 ' HG3' ' N ' ' A' ' 68' ' ' LYS . 0.0 OUTLIER -63.99 -28.8 70.06 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.17 -0.468 . . . . 15.710000000000001 110.762 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.441 ' N ' ' HG3' ' A' ' 67' ' ' LYS . 0.0 OUTLIER -73.85 -42.88 60.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 23.77 110.292 179.506 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 46.9 ttp -64.75 -46.16 83.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.001 -0.545 . . . . 10.25 110.121 179.353 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -66.98 -42.93 89.34 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 CA-C-N 116.072 -0.513 . . . . 7.5899999999999999 110.389 179.524 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -47.41 -64.74 0.7 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.892 -0.595 . . . . 20.899999999999999 110.596 179.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 76.8 m-20 -51.14 -42.29 60.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.318 -0.401 . . . . 13.449999999999999 110.506 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 20.4 m -61.05 -66.5 0.52 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 9.9800000000000004 110.016 179.326 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.47 ' CD1' ' CB ' ' B' ' 62' ' ' GLN . 12.0 mt -54.32 -33.27 58.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.037 -0.529 . . . . 17.969999999999999 110.63 179.529 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -57.97 -61.11 2.78 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.923 -0.58 . . . . 21.239999999999998 110.302 179.672 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.88 -31.87 68.68 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.03 -0.532 . . . . 17.670000000000002 110.677 179.586 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.3 tp -65.31 -46.13 81.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.035 -0.53 . . . . 20.510000000000002 110.536 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.416 ' CE2' ' HB3' ' A' ' 74' ' ' LEU . 21.4 m-30 -71.99 -24.65 61.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 27.59 110.629 179.479 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -74.79 -28.31 60.68 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.168 -0.469 . . . . 27.260000000000002 110.594 179.673 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 2.9 tptp -67.98 -35.67 78.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.061 -0.518 . . . . 31.23 110.911 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 9.1 p -65.82 -41.38 91.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 34.630000000000003 110.847 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 31.5 p . . . . . 0 C--O 1.249 1.079 0 CA-C-O 118.262 -0.875 . . . . 41.109999999999999 110.956 179.975 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 12.6 mtp180 . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.763 0.316 . . . . 41.850000000000001 111.249 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -112.19 22.58 14.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 40.950000000000003 111.031 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -62.83 -25.69 68.38 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.37 -0.377 . . . . 33.82 110.809 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -54.71 -40.28 69.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 32.039999999999999 111.086 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -68.55 -42.94 77.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 32.280000000000001 110.71 179.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 49.9 mtt180 -61.21 -37.33 82.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 23.550000000000001 110.655 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . 0.403 ' O ' ' N ' ' B' ' 61' ' ' GLU . 16.6 mt -64.57 -61.35 2.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.03 -0.532 . . . . 19.460000000000001 110.705 179.789 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -45.4 -29.44 1.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.918 -0.583 . . . . 19.539999999999999 110.995 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -73.6 -39.01 64.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.989 -0.551 . . . . 25.420000000000002 110.395 179.633 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' B' ' 58' ' ' LEU . 31.5 mm-40 -70.6 -35.8 73.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 17.530000000000001 110.566 179.645 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . 0.47 ' CB ' ' CD1' ' A' ' 74' ' ' LEU . 12.7 mm-40 -69.32 -38.57 78.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.027 -0.533 . . . . 14.83 110.554 179.736 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.74 -62.09 2.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.086 -0.507 . . . . 14.699999999999999 110.68 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -49.7 -35.31 21.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 8.7300000000000004 110.694 179.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.07 -48.59 65.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.995 -0.548 . . . . 8.0299999999999994 110.549 179.74 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 21.9 t -64.13 -32.47 57.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.081 -0.509 . . . . 6.7400000000000002 110.938 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 4.5 tttt -59.53 -59.9 4.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.069 -0.514 . . . . 12.31 110.871 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 1.2 tttp -54.02 -30.48 47.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.353 -0.385 . . . . 19.949999999999999 110.646 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 69' ' ' MET . . . . . 0.434 ' CE ' ' HB3' ' D' ' 62' ' ' GLN . 58.2 ttp -69.05 -52.04 32.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 12.92 110.639 179.799 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 62.9 t -75.73 -23.18 16.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.151 -0.477 . . . . 15.109999999999999 111.018 179.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -62.8 -44.79 95.22 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.181 -0.463 . . . . 25.100000000000001 110.51 179.726 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -67.91 -46.9 70.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.095 -0.502 . . . . 27.5 110.618 179.694 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 73' ' ' THR . . . . . . . . . . . . . 99.1 m -53.65 -47.93 69.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 23.27 110.672 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 74' ' ' LEU . . . . . 0.406 ' CD1' ' HB2' ' A' ' 62' ' ' GLN . 20.9 mt -62.43 -38.0 88.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.095 -0.502 . . . . 21.440000000000001 110.633 179.827 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -50.7 -42.37 56.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 25.66 110.688 179.779 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -78.93 -28.2 43.75 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.978 -0.555 . . . . 30.170000000000002 110.629 179.734 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 38.5 mt -66.53 -46.48 76.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.029 -0.532 . . . . 29.969999999999999 110.819 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 78' ' ' TYR . . . . . 0.418 ' CE2' ' HB3' ' A' ' 58' ' ' LEU . 13.6 m-85 -78.29 -25.58 46.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.111 -0.495 . . . . 31.469999999999999 110.937 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -49.89 -51.41 40.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 41.460000000000001 110.858 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 30.3 tptt -66.48 -62.94 1.2 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.117 -0.492 . . . . 41.030000000000001 110.745 179.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 3.0 t -82.66 68.27 9.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 38.450000000000003 110.952 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.232 -0.889 . . . . 46.439999999999998 110.967 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 52' ' ' ARG . . . . . . . . . . . . . 49.4 mtt180 . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 120.763 0.316 . . . . 45.409999999999997 111.179 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 53' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -116.1 84.58 2.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.238 -0.437 . . . . 41.049999999999997 110.843 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -69.46 -40.44 77.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.133 -0.485 . . . . 37.950000000000003 111.01 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . -53.95 -31.13 49.43 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.399 -0.364 . . . . 34.100000000000001 110.891 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -78.51 -51.01 10.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 30.5 110.46 179.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.99 -44.96 94.18 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.964 -0.562 . . . . 37.920000000000002 110.458 179.688 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 58' ' ' LEU . . . . . 0.473 ' HB3' ' CE2' ' D' ' 78' ' ' TYR . 27.3 mt -55.69 -53.16 59.97 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.785 -0.643 . . . . 25.559999999999999 110.812 179.768 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -49.91 -34.66 21.05 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.121 -0.49 . . . . 20.030000000000001 111.025 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -76.49 -28.98 56.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.054 -0.521 . . . . 22.280000000000001 110.641 179.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -74.43 -59.77 2.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.085 -0.507 . . . . 23.280000000000001 110.721 179.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 62' ' ' GLN . . . . . 0.425 ' HB2' ' CD1' ' D' ' 74' ' ' LEU . 42.2 mm-40 -50.87 -45.45 59.93 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.95 -0.568 . . . . 25.699999999999999 110.852 179.775 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 63' ' ' SER . . . . . . . . . . . . . 26.1 p -60.81 -43.73 97.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 17.23 110.763 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.19 -36.58 71.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 24.449999999999999 110.653 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 65' ' ' LEU . . . . . . . . . . . . . 23.9 mt -65.27 -36.36 83.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.274 -0.421 . . . . 17.469999999999999 110.48 179.658 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 66' ' ' VAL . . . . . . . . . . . . . 57.5 t -70.7 -42.64 77.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.96 -0.564 . . . . 16.079999999999998 110.931 179.743 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 67' ' ' LYS . . . . . 0.437 ' HG3' ' N ' ' C' ' 68' ' ' LYS . 0.0 OUTLIER -63.81 -29.18 70.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.458 . . . . 15.710000000000001 110.749 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' C' C ' 68' ' ' LYS . . . . . 0.437 ' N ' ' HG3' ' C' ' 67' ' ' LYS . 0.0 OUTLIER -73.6 -42.96 60.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.495 . . . . 13.859999999999999 110.305 179.588 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' C' C ' 69' ' ' MET . . . . . . . . . . . . . 46.9 ttp -64.57 -46.31 83.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.027 -0.533 . . . . 8.5500000000000007 110.138 179.304 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -66.85 -43.13 89.81 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.28 0 CA-C-N 116.024 -0.534 . . . . 10.08 110.401 179.468 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 71' ' ' PHE . . . . . 0.431 ' CE1' ' OD1' ' D' ' 60' ' ' ASP . 60.8 t80 -47.33 -64.75 0.7 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.954 -0.567 . . . . 9.7899999999999991 110.637 179.758 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -51.08 -42.37 60.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.398 -0.365 . . . . 11.33 110.561 179.738 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 73' ' ' THR . . . . . . . . . . . . . 20.5 m -60.89 -66.67 0.5 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.21 -0.45 . . . . 13.25 110.032 179.307 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 74' ' ' LEU . . . . . 0.465 ' CD1' ' CB ' ' D' ' 62' ' ' GLN . 12.2 mt -54.04 -33.42 57.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.983 -0.553 . . . . 15.9 110.647 179.456 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 75' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -57.85 -61.22 2.69 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.908 -0.587 . . . . 14.039999999999999 110.265 179.771 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 76' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.83 -31.82 68.66 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.952 -0.567 . . . . 16.27 110.719 179.573 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 3.3 tp -65.32 -46.28 80.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.038 -0.528 . . . . 21.170000000000002 110.524 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 78' ' ' TYR . . . . . 0.41 ' CE2' ' HB3' ' C' ' 74' ' ' LEU . 21.3 m-30 -71.88 -24.85 61.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 24.890000000000001 110.556 179.597 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -74.6 -28.37 60.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 32.140000000000001 110.587 179.669 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 2.9 tptp -67.99 -35.54 78.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.15 -0.477 . . . . 26.960000000000001 110.924 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 81' ' ' THR . . . . . . . . . . . . . 9.0 p -65.9 -41.2 91.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 34.340000000000003 110.858 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 82' ' ' THR . . . . . . . . . . . . . 31.8 p . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.258 -0.877 . . . . 36.560000000000002 110.948 -179.973 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' D' D ' 52' ' ' ARG . . . . . . . . . . . . . 12.6 mtp180 . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 120.875 0.369 . . . . 46.520000000000003 111.179 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' D' D ' 53' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -112.28 22.59 14.57 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.194 -0.457 . . . . 40.850000000000001 110.973 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -62.81 -25.64 68.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.903 0.382 . . . . 34.979999999999997 110.828 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 55' ' ' ALA . . . . . . . . . . . . . . . -54.59 -40.34 68.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.062 -0.517 . . . . 32.460000000000001 111.122 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -68.67 -42.71 77.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 32.789999999999999 110.724 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 57' ' ' ARG . . . . . . . . . . . . . 49.8 mtt180 -61.43 -37.22 82.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 33.560000000000002 110.631 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 58' ' ' LEU . . . . . 0.404 ' O ' ' N ' ' D' ' 61' ' ' GLU . 16.5 mt -64.58 -61.47 2.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.054 -0.521 . . . . 22.949999999999999 110.657 179.781 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 59' ' ' ALA . . . . . . . . . . . . . . . -45.18 -29.46 0.95 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.867 -0.606 . . . . 20.280000000000001 111.072 179.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 60' ' ' ASP . . . . . 0.431 ' OD1' ' CE1' ' C' ' 71' ' ' PHE . 0.3 OUTLIER -73.45 -39.45 64.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.939 -0.573 . . . . 19.170000000000002 110.397 179.547 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' D' D ' 61' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' D' ' 58' ' ' LEU . 32.0 mm-40 -70.4 -35.63 73.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.064 -0.516 . . . . 12.66 110.527 179.651 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 62' ' ' GLN . . . . . 0.465 ' CB ' ' CD1' ' C' ' 74' ' ' LEU . 12.6 mm-40 -69.25 -38.58 78.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 12.869999999999999 110.595 179.735 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 63' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.81 -62.2 1.97 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.027 -0.533 . . . . 17.600000000000001 110.737 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 64' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -49.67 -35.19 20.67 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.166 -0.47 . . . . 18.350000000000001 110.706 179.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.22 -48.52 64.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.035 -0.53 . . . . 11.01 110.567 179.703 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 66' ' ' VAL . . . . . . . . . . . . . 22.0 t -64.11 -32.54 57.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 10.27 111.002 179.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 67' ' ' LYS . . . . . . . . . . . . . 4.5 tttt -59.5 -59.79 4.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 18.960000000000001 110.877 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 68' ' ' LYS . . . . . . . . . . . . . 1.2 tttp -54.05 -30.4 47.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.36 -0.382 . . . . 12.32 110.658 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 69' ' ' MET . . . . . 0.41 ' CE ' ' HB3' ' B' ' 62' ' ' GLN . 58.2 ttp -68.97 -52.2 31.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 11.050000000000001 110.564 179.79 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 70' ' ' VAL . . . . . . . . . . . . . 59.5 t -75.63 -23.24 16.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.085 -0.507 . . . . 11.69 111.058 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -62.74 -44.7 95.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.223 -0.444 . . . . 18.550000000000001 110.545 179.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -68.02 -47.06 69.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.083 -0.508 . . . . 23.899999999999999 110.577 179.719 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 73' ' ' THR . . . . . . . . . . . . . 99.9 m -53.54 -47.86 69.6 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.152 -0.476 . . . . 21.780000000000001 110.775 179.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 74' ' ' LEU . . . . . 0.425 ' CD1' ' HB2' ' C' ' 62' ' ' GLN . 20.7 mt -62.44 -37.99 88.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 26.699999999999999 110.674 179.741 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 75' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -50.79 -42.32 57.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 30.75 110.688 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 76' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -78.77 -28.44 44.77 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.005 -0.543 . . . . 29.539999999999999 110.604 179.645 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 77' ' ' LEU . . . . . . . . . . . . . 38.4 mt -66.38 -46.5 76.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.941 -0.572 . . . . 28.379999999999999 110.817 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 78' ' ' TYR . . . . . 0.473 ' CE2' ' HB3' ' C' ' 58' ' ' LEU . 13.4 m-85 -78.25 -25.7 46.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.114 -0.494 . . . . 34.310000000000002 110.8 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 79' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -49.78 -51.54 38.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 41.609999999999999 110.833 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 80' ' ' LYS . . . . . . . . . . . . . 30.3 tptt -66.37 -62.97 1.18 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.089 -0.505 . . . . 44.380000000000003 110.787 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 81' ' ' THR . . . . . . . . . . . . . 3.0 t -82.62 68.24 9.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 39.469999999999999 110.923 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 82' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.219 -0.896 . . . . 48.979999999999997 110.962 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 5.0 mtt180 . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.846 0.355 . . . . 47.100000000000001 111.187 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -139.21 79.47 1.73 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 35.850000000000001 111.034 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -60.3 -30.59 69.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 36.899999999999999 110.871 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.88 -37.21 86.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.291 -0.413 . . . . 30.920000000000002 110.672 179.645 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -63.45 -56.49 15.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.992 -0.549 . . . . 27.670000000000002 110.427 179.662 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -65.16 -48.06 74.86 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.884 -0.598 . . . . 26.120000000000001 110.298 179.446 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.431 HD12 ' CE2' ' B' ' 78' ' ' TYR . 1.7 tm? -53.59 -49.11 68.47 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.758 -0.656 . . . . 28.289999999999999 110.591 179.466 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -55.52 -34.14 64.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.038 -0.528 . . . . 25.699999999999999 110.994 179.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -60.38 -45.31 93.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 27.649999999999999 110.715 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.45 -53.47 50.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 27.359999999999999 110.83 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 8.8 mp0 -54.01 -45.48 71.51 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.949 -0.568 . . . . 21.100000000000001 110.851 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 49.2 m -59.14 -38.13 78.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 16.789999999999999 110.778 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -60.18 -35.49 75.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 18.73 110.869 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 7.9 mt -67.7 -39.49 84.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 17.390000000000001 110.78 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 26.1 t -73.21 -44.68 55.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.074 -0.512 . . . . 10.449999999999999 111.319 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 71.4 tttt -60.65 -50.5 73.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.349 -0.387 . . . . 20.489999999999998 110.68 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 22.9 mtmt -55.9 -32.66 63.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 22.109999999999999 110.368 179.521 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 61.0 ttp -67.19 -41.95 85.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.945 -0.57 . . . . 7.8799999999999999 110.712 179.712 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 79.4 t -71.53 -44.35 70.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 5.2400000000000002 111.064 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.427 ' O ' ' CB ' ' A' ' 75' ' ' LYS . 19.6 t80 -50.88 -62.08 1.82 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.5 -0.318 . . . . 14.140000000000001 110.65 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -52.53 -42.93 64.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.477 -0.329 . . . . 9.0899999999999999 110.481 179.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 19.5 m -63.29 -71.44 0.17 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.96 0.41 . . . . 13.779999999999999 110.204 179.528 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.491 ' CD1' ' CB ' ' B' ' 62' ' ' GLN . 14.2 mt -50.33 -37.66 37.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.983 -0.553 . . . . 19.989999999999998 110.932 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.427 ' CB ' ' O ' ' A' ' 71' ' ' PHE . 37.0 ttpt -52.43 -67.71 0.23 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.945 -0.571 . . . . 19.949999999999999 110.398 179.62 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.89 -28.91 69.29 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.58 -0.736 . . . . 15.140000000000001 111.035 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.432 ' HB3' ' HA ' ' A' ' 74' ' ' LEU . 2.7 tp -66.8 -65.79 0.64 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.335 -0.393 . . . . 20.34 110.904 -179.813 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.422 ' CD1' ' CD1' ' D' ' 77' ' ' LEU . 18.9 m-30 -50.73 -31.72 17.45 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.445 -0.343 . . . . 25.640000000000001 110.907 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.33 -24.39 66.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.279 -0.419 . . . . 27.120000000000001 110.916 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.98 -47.15 78.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 29.789999999999999 111.064 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 49.0 p -55.03 -61.3 2.4 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.007 -0.542 . . . . 34.299999999999997 110.892 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 74.1 p . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.187 -0.911 . . . . 41.039999999999999 110.957 -179.993 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.791 0.329 . . . . 44.740000000000002 111.19 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -98.09 20.93 11.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.299 -0.409 . . . . 41.630000000000003 110.987 179.812 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -63.77 -25.56 68.24 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.391 -0.368 . . . . 35.140000000000001 110.642 179.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -54.3 -39.8 67.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.073 -0.512 . . . . 35.219999999999999 111.013 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -63.79 -62.63 1.52 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 30.600000000000001 110.779 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 57' ' ' ARG . . . . . 0.41 ' HG3' ' N ' ' B' ' 58' ' ' LEU . 0.6 OUTLIER -51.0 -39.66 56.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.295 -0.412 . . . . 25.890000000000001 110.674 179.881 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . 0.41 ' N ' ' HG3' ' B' ' 57' ' ' ARG . 3.9 mt -59.98 -59.84 4.77 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.03 -0.532 . . . . 20.059999999999999 110.668 179.783 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -47.33 -35.3 7.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.89 -0.595 . . . . 17.609999999999999 110.979 179.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 62.6 t0 -60.77 -51.16 70.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.061 -0.518 . . . . 21.969999999999999 110.696 179.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -56.68 -35.64 68.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 15.92 110.512 179.643 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . 0.491 ' CB ' ' CD1' ' A' ' 74' ' ' LEU . 3.2 mm-40 -69.81 -53.17 19.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.97 -0.559 . . . . 15.91 110.625 179.667 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -52.08 -57.84 8.36 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.116 -0.493 . . . . 14.59 110.643 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -51.63 -34.02 35.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 11.77 110.57 179.662 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.48 -42.8 82.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.984 -0.553 . . . . 6.25 110.566 179.683 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 3.9 t -65.52 -42.55 93.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.068 -0.515 . . . . 8.1699999999999999 110.949 179.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 2.4 tttt -55.89 -55.92 26.82 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.037 -0.529 . . . . 20.449999999999999 110.784 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.36 -35.11 67.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 19.82 110.596 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 69' ' ' MET . . . . . 0.439 ' CE ' ' HB3' ' D' ' 62' ' ' GLN . 32.4 ttp -70.84 -49.69 43.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.981 -0.554 . . . . 12.68 110.805 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 82.2 t -74.18 -21.17 17.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.106 -0.497 . . . . 15.09 111.17 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 81.8 t80 -69.14 -45.18 70.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.385 -0.37 . . . . 25.739999999999998 110.693 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -65.15 -41.11 95.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.086 -0.507 . . . . 28.030000000000001 110.697 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 73' ' ' THR . . . . . . . . . . . . . 22.9 m -59.27 -46.64 87.98 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.193 -0.458 . . . . 20.41 110.771 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 20.6 mt -59.19 -44.57 92.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 21.620000000000001 110.781 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 26.4 tttt -51.19 -42.79 61.11 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.298 -0.41 . . . . 28.800000000000001 110.549 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -74.83 -32.41 61.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.983 -0.553 . . . . 30.940000000000001 110.417 179.607 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . 0.511 ' CD1' ' CD1' ' C' ' 78' ' ' TYR . 15.3 mt -61.37 -44.98 96.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.954 -0.566 . . . . 30.379999999999999 110.739 179.696 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 78' ' ' TYR . . . . . 0.431 ' CE2' HD12 ' A' ' 58' ' ' LEU . 4.6 m-85 -79.62 -40.85 28.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.118 -0.492 . . . . 34.130000000000003 110.721 179.758 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 7.6 ttmt -53.08 -28.43 25.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 41.009999999999998 110.776 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.33 -57.2 6.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 42.609999999999999 110.849 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 29.9 p -68.53 63.2 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 41.479999999999997 111.058 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.197 -0.906 . . . . 49.770000000000003 110.831 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 52' ' ' ARG . . . . . . . . . . . . . 5.0 mtt180 . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.861 0.362 . . . . 45.359999999999999 111.295 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 53' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -139.26 79.53 1.73 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 40.68 111.013 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -60.35 -30.82 69.79 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.217 -0.447 . . . . 40.310000000000002 110.763 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.83 -36.97 84.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.318 -0.401 . . . . 35.600000000000001 110.673 179.704 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -63.63 -56.35 16.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.053 -0.521 . . . . 30.449999999999999 110.371 179.616 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 57' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -65.27 -48.22 73.97 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.888 -0.596 . . . . 38.890000000000001 110.219 179.502 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -53.48 -48.98 68.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.761 -0.654 . . . . 30.079999999999998 110.549 179.551 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -55.72 -34.15 64.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.075 -0.511 . . . . 21.68 110.936 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -60.38 -45.23 94.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 18.84 110.749 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.41 -53.52 50.01 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.071 -0.513 . . . . 21.469999999999999 110.914 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 8.9 mp0 -53.9 -45.57 71.15 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.944 -0.571 . . . . 23.460000000000001 110.882 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 63' ' ' SER . . . . . . . . . . . . . 49.4 m -59.01 -38.32 78.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 18.129999999999999 110.765 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -60.04 -35.33 74.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.103 -0.499 . . . . 26.489999999999998 110.947 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 65' ' ' LEU . . . . . . . . . . . . . 7.7 mt -67.88 -39.69 83.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 20.539999999999999 110.701 179.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 66' ' ' VAL . . . . . . . . . . . . . 25.8 t -73.03 -44.83 56.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.136 -0.484 . . . . 16.07 111.188 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 67' ' ' LYS . . . . . . . . . . . . . 71.5 tttt -60.58 -50.29 74.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.31 -0.405 . . . . 9.3000000000000007 110.729 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 68' ' ' LYS . . . . . . . . . . . . . 23.2 mtmt -56.07 -32.8 64.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.334 -0.393 . . . . 15.109999999999999 110.245 179.578 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 69' ' ' MET . . . . . . . . . . . . . 61.2 ttp -67.05 -41.99 85.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.978 -0.555 . . . . 10.109999999999999 110.736 179.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 77.0 t -71.55 -44.31 70.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.086 -0.506 . . . . 9.7599999999999998 110.989 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 71' ' ' PHE . . . . . 0.433 ' O ' ' CB ' ' C' ' 75' ' ' LYS . 19.8 t80 -50.89 -62.2 1.75 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.513 -0.312 . . . . 18.359999999999999 110.616 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 47.9 m-20 -52.39 -42.94 64.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.771 0.32 . . . . 15.0 110.497 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 73' ' ' THR . . . . . . . . . . . . . 20.0 m -63.52 -71.44 0.17 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.225 -0.443 . . . . 9.6999999999999993 110.208 179.531 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 74' ' ' LEU . . . . . 0.484 ' CD1' ' CB ' ' D' ' 62' ' ' GLN . 15.2 mt -50.3 -37.29 35.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.079 -0.51 . . . . 14.25 110.876 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 75' ' ' LYS . . . . . 0.433 ' CB ' ' O ' ' C' ' 71' ' ' PHE . 37.0 ttpt -52.84 -67.81 0.22 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.008 -0.542 . . . . 15.699999999999999 110.423 179.581 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 76' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.84 -28.8 69.25 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.598 -0.728 . . . . 18.440000000000001 111.11 179.787 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 77' ' ' LEU . . . . . 0.413 ' HB3' ' HA ' ' C' ' 74' ' ' LEU . 2.7 tp -66.79 -65.8 0.64 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.456 -0.338 . . . . 21.32 110.879 -179.827 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 78' ' ' TYR . . . . . 0.511 ' CD1' ' CD1' ' B' ' 77' ' ' LEU . 19.2 m-30 -50.67 -31.93 17.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.9 0.381 . . . . 28.68 110.917 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.11 -24.5 66.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 26.140000000000001 110.886 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.88 -47.23 78.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 31.059999999999999 111.032 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 81' ' ' THR . . . . . . . . . . . . . 49.8 p -54.92 -61.41 2.33 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.027 -0.533 . . . . 34.740000000000002 110.875 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 82' ' ' THR . . . . . . . . . . . . . 74.1 p . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.204 -0.903 . . . . 39.060000000000002 111.005 179.974 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' D' D ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.729 0.3 . . . . 44.509999999999998 111.256 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 53' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -98.01 20.88 11.5 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.368 -0.378 . . . . 38.659999999999997 111.05 179.771 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -63.68 -25.59 68.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.841 0.353 . . . . 33.18 110.65 179.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 55' ' ' ALA . . . . . . . . . . . . . . . -54.35 -39.75 67.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.499 . . . . 30.199999999999999 111.076 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -63.78 -62.6 1.55 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.127 -0.488 . . . . 32.920000000000002 110.875 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 57' ' ' ARG . . . . . 0.416 ' HG3' ' N ' ' D' ' 58' ' ' LEU . 0.6 OUTLIER -50.99 -39.7 56.25 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.227 -0.442 . . . . 26.530000000000001 110.682 179.831 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' D' D ' 58' ' ' LEU . . . . . 0.416 ' N ' ' HG3' ' D' ' 57' ' ' ARG . 3.7 mt -60.02 -59.32 5.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.936 -0.574 . . . . 22.449999999999999 110.706 179.784 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 59' ' ' ALA . . . . . . . . . . . . . . . -47.71 -35.55 9.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.81 -0.632 . . . . 22.109999999999999 111.064 179.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 60' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -60.64 -50.99 71.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.972 -0.558 . . . . 19.93 110.684 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 61' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -56.82 -35.5 68.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.205 -0.452 . . . . 13.81 110.494 179.635 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 62' ' ' GLN . . . . . 0.484 ' CB ' ' CD1' ' C' ' 74' ' ' LEU . 3.2 mm-40 -69.98 -53.02 19.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.018 -0.537 . . . . 11.06 110.637 179.711 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 63' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -51.97 -58.07 7.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 16.52 110.558 179.79 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 64' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -51.38 -33.94 32.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.114 -0.494 . . . . 15.99 110.673 179.652 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.78 -42.73 81.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.031 -0.532 . . . . 11.890000000000001 110.53 179.718 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 66' ' ' VAL . . . . . . . . . . . . . 4.0 t -65.49 -42.33 92.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 9.6099999999999994 111.048 179.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 67' ' ' LYS . . . . . . . . . . . . . 2.4 tttt -55.98 -55.86 27.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.97 -0.559 . . . . 11.619999999999999 110.874 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.33 -35.31 67.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 11.789999999999999 110.664 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 69' ' ' MET . . . . . 0.432 ' CE ' ' HB3' ' B' ' 62' ' ' GLN . 33.4 ttp -70.64 -49.52 46.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.006 -0.543 . . . . 11.289999999999999 110.885 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 70' ' ' VAL . . . . . . . . . . . . . 81.4 t -74.28 -21.31 17.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.078 -0.51 . . . . 11.51 111.234 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -69.07 -45.1 71.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.307 -0.406 . . . . 17.75 110.675 179.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -65.16 -41.35 94.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 24.27 110.671 179.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 73' ' ' THR . . . . . . . . . . . . . 23.5 m -59.01 -46.65 87.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.455 . . . . 24.800000000000001 110.773 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 74' ' ' LEU . . . . . . . . . . . . . 20.8 mt -59.15 -44.74 92.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.107 -0.497 . . . . 26.850000000000001 110.741 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 75' ' ' LYS . . . . . . . . . . . . . 26.2 tttt -51.05 -42.88 60.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.309 -0.405 . . . . 27.649999999999999 110.511 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 76' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -74.72 -32.56 62.17 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.983 -0.553 . . . . 28.0 110.396 179.617 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 77' ' ' LEU . . . . . 0.422 ' CD1' ' CD1' ' A' ' 78' ' ' TYR . 15.1 mt -61.19 -45.07 96.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.936 -0.575 . . . . 28.899999999999999 110.669 179.756 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 78' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -79.66 -40.78 28.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.046 -0.525 . . . . 33.719999999999999 110.732 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 79' ' ' LYS . . . . . . . . . . . . . 7.6 ttmt -53.08 -28.5 25.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.114 -0.494 . . . . 45.710000000000001 110.806 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.33 -57.37 6.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.104 -0.498 . . . . 41.659999999999997 110.787 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 81' ' ' THR . . . . . . . . . . . . . 29.8 p -68.42 63.16 0.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 41.299999999999997 111.044 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 82' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.25 1.09 0 CA-C-O 118.21 -0.9 . . . . 50.289999999999999 110.875 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.3 ttt85 . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.785 0.326 . . . . 44.740000000000002 111.165 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -150.0 96.41 2.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 41.579999999999998 110.992 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.421 ' O ' ' CB ' ' A' ' 58' ' ' LEU . 7.0 p-10 -73.81 -25.86 60.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 38.899999999999999 110.801 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.427 ' HB1' ' CG ' ' B' ' 78' ' ' TYR . . . -64.71 -38.6 91.55 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.396 -0.366 . . . . 34.68 110.921 179.777 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -62.82 -53.87 47.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.429 . . . . 30.559999999999999 110.373 179.64 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 2.8 tpp180 -67.89 -45.02 75.62 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.884 -0.598 . . . . 36.82 110.252 179.443 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.421 ' CB ' ' O ' ' A' ' 54' ' ' ASP . 2.4 tm? -58.14 -42.97 87.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.828 -0.624 . . . . 26.059999999999999 110.903 179.653 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.79 -35.28 79.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 20.469999999999999 111.281 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -61.77 -39.51 91.91 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.251 -0.431 . . . . 21.789999999999999 110.934 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -65.83 -54.0 32.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 22.149999999999999 110.991 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.432 ' HB2' ' CD1' ' B' ' 74' ' ' LEU . 79.4 mm-40 -51.63 -42.78 62.27 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.022 -0.535 . . . . 24.98 110.964 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 68.5 p -70.22 -33.14 71.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 17.850000000000001 110.876 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -63.28 -51.96 63.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 24.850000000000001 110.73 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 8.6 mt -53.72 -46.43 70.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.086 -0.507 . . . . 18.440000000000001 110.566 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 48.2 t -59.7 -48.3 88.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 16.629999999999999 110.644 179.481 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.437 ' HG3' ' CB ' ' B' ' 63' ' ' SER . 23.6 tttt -56.66 -41.27 76.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.846 -0.616 . . . . 13.369999999999999 110.612 179.74 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.43 -42.99 98.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 13.880000000000001 110.524 179.592 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 53.8 ttp -60.61 -39.5 88.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.025 -0.534 . . . . 8.8000000000000007 110.638 179.656 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 60.5 t -70.71 -45.25 74.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.485 . . . . 10.26 110.714 179.756 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.433 ' O ' ' CB ' ' A' ' 75' ' ' LYS . 46.4 t80 -51.62 -61.0 2.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.496 -0.32 . . . . 12.16 110.468 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 36.3 m-20 -52.45 -40.62 62.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.375 -0.375 . . . . 11.01 110.385 179.672 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.1 m -65.68 -72.38 0.16 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 12.199999999999999 110.22 179.408 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.477 ' CD1' ' CB ' ' B' ' 62' ' ' GLN . 13.1 mt -50.11 -35.32 25.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 15.210000000000001 110.904 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.433 ' CB ' ' O ' ' A' ' 71' ' ' PHE . 13.4 ttpt -53.62 -67.48 0.25 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.117 -0.492 . . . . 13.09 110.198 179.491 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -63.81 -33.21 75.17 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.635 -0.711 . . . . 16.5 110.788 179.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.414 ' HB3' ' HA ' ' A' ' 74' ' ' LEU . 0.6 OUTLIER -63.36 -63.94 1.04 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.465 -0.334 . . . . 20.920000000000002 110.512 179.916 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 16.7 m-30 -53.34 -27.05 21.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.881 0.372 . . . . 25.989999999999998 110.591 179.584 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 9.7 mttt -63.37 -36.11 82.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.101 -0.5 . . . . 26.120000000000001 110.443 179.691 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.16 -27.05 66.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.959 -0.564 . . . . 27.390000000000001 110.779 179.794 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -76.29 -42.4 45.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.013 -0.54 . . . . 35.240000000000002 110.824 179.837 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 15.2 t . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.276 -0.868 . . . . 37.600000000000001 110.831 179.939 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 8.7 mtt85 . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.663 0.268 . . . . 47.460000000000001 111.243 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 53' ' ' ASN . . . . . 0.428 ' OD1' ' CB ' ' B' ' 55' ' ' ALA . 7.1 p30 44.88 -172.08 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 116.073 -0.512 . . . . 42.049999999999997 111.34 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -81.41 -25.98 35.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.334 -0.394 . . . . 34.829999999999998 111.058 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 55' ' ' ALA . . . . . 0.428 ' CB ' ' OD1' ' B' ' 53' ' ' ASN . . . -60.03 -51.59 69.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.37 -0.377 . . . . 32.759999999999998 110.946 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.97 -47.75 83.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.272 -0.422 . . . . 32.890000000000001 110.387 179.545 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 20.7 tpp180 -59.44 -40.21 86.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.041 -0.527 . . . . 31.420000000000002 110.238 179.387 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . 0.402 HD21 ' CG2' ' D' ' 73' ' ' THR . 3.2 mt -58.22 -61.98 2.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.744 -0.662 . . . . 23.57 110.459 179.439 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -45.68 -29.31 1.22 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.696 -0.683 . . . . 21.23 111.183 179.651 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -61.82 -53.72 52.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.023 -0.535 . . . . 17.52 110.665 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . 0.412 ' HG3' ' N ' ' B' ' 62' ' ' GLN . 1.6 pt-20 -60.13 -28.91 68.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 12.67 110.707 179.774 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . 0.477 ' CB ' ' CD1' ' A' ' 74' ' ' LEU . 15.3 mm-40 -72.21 -48.43 43.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.924 0.392 . . . . 11.970000000000001 110.761 179.736 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 63' ' ' SER . . . . . 0.437 ' CB ' ' HG3' ' A' ' 67' ' ' LYS . 0.8 OUTLIER -57.12 -56.19 24.96 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.136 -0.484 . . . . 17.5 110.859 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . 0.422 ' HG3' ' N ' ' B' ' 65' ' ' LEU . 7.9 pt-20 -50.9 -35.57 33.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 17.489999999999998 110.78 179.8 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . 0.422 ' N ' ' HG3' ' B' ' 64' ' ' GLU . 0.1 OUTLIER -66.26 -38.29 87.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.49 . . . . 11.33 110.883 179.832 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 24.3 t -69.18 -37.28 76.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.242 -0.435 . . . . 9.4399999999999995 111.222 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 10.7 tttt -59.44 -58.88 6.65 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.205 -0.452 . . . . 17.289999999999999 111.017 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 45.4 tttt -54.76 -31.02 58.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.336 -0.393 . . . . 10.84 110.752 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 69' ' ' MET . . . . . . . . . . . . . 47.8 ttp -69.08 -51.42 38.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.481 . . . . 11.029999999999999 110.762 179.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 60.2 t -77.23 -20.3 14.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 11.34 111.019 179.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -64.4 -52.73 56.72 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.369 -0.378 . . . . 18.469999999999999 110.749 179.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 42.4 t0 -65.44 -40.24 93.04 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.13 -0.486 . . . . 24.530000000000001 110.706 179.728 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 73' ' ' THR . . . . . 0.431 ' CG2' HD21 ' D' ' 58' ' ' LEU . 16.2 m -53.42 -60.22 3.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 23.359999999999999 110.828 179.686 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 74' ' ' LEU . . . . . 0.432 ' CD1' ' HB2' ' A' ' 62' ' ' GLN . 28.7 mt -50.78 -39.04 51.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.119 -0.491 . . . . 27.640000000000001 110.949 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.28 -47.13 55.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 30.73 110.749 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -73.33 -26.8 61.19 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.993 -0.548 . . . . 29.690000000000001 110.604 179.724 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 20.3 mt -66.83 -42.47 85.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.048 -0.524 . . . . 29.359999999999999 110.762 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 78' ' ' TYR . . . . . 0.427 ' CG ' ' HB1' ' A' ' 55' ' ' ALA . 9.2 m-85 -82.52 -36.13 26.66 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.077 -0.511 . . . . 35.490000000000002 110.94 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 3.8 tttp -59.53 -48.68 80.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 44.810000000000002 110.849 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 74.0 tttt -54.98 -67.64 0.25 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.082 -0.508 . . . . 44.0 110.888 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 6.1 t -83.96 73.13 10.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 41.939999999999998 111.137 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.183 -0.913 . . . . 50.649999999999999 110.909 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 52' ' ' ARG . . . . . . . . . . . . . 1.4 ttt85 . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.793 0.33 . . . . 47.969999999999999 111.152 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 53' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -150.18 96.45 2.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 37.390000000000001 110.981 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 54' ' ' ASP . . . . . 0.424 ' O ' ' CB ' ' C' ' 58' ' ' LEU . 7.0 p-10 -73.84 -25.94 60.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 39.07 110.883 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 55' ' ' ALA . . . . . 0.444 ' HB1' ' CD2' ' D' ' 78' ' ' TYR . . . -64.72 -38.52 91.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.224 -0.443 . . . . 31.530000000000001 110.889 179.754 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -62.8 -53.94 46.63 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.014 0.435 . . . . 28.109999999999999 110.435 179.64 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 57' ' ' ARG . . . . . . . . . . . . . 2.8 tpp180 -67.66 -45.03 76.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.905 -0.589 . . . . 29.600000000000001 110.318 179.404 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 58' ' ' LEU . . . . . 0.424 ' CB ' ' O ' ' C' ' 54' ' ' ASP . 2.4 tm? -58.18 -43.16 87.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.716 -0.675 . . . . 30.149999999999999 110.891 179.658 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.46 -35.48 79.46 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.222 -0.444 . . . . 26.489999999999998 111.225 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -61.56 -39.45 91.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.248 -0.433 . . . . 26.809999999999999 110.94 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -66.04 -53.86 33.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 26.809999999999999 110.948 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 79.7 mm-40 -51.73 -42.73 62.5 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.065 -0.516 . . . . 19.780000000000001 110.911 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 63' ' ' SER . . . . . . . . . . . . . 68.0 p -70.37 -33.18 71.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 16.34 110.781 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -63.26 -52.02 63.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.292 -0.413 . . . . 18.199999999999999 110.741 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 65' ' ' LEU . . . . . . . . . . . . . 8.6 mt -53.66 -46.21 70.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 19.77 110.631 179.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 66' ' ' VAL . . . . . . . . . . . . . 48.4 t -59.83 -48.34 88.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.01 0.433 . . . . 11.31 110.692 179.486 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 67' ' ' LYS . . . . . 0.43 ' HG3' ' CB ' ' D' ' 63' ' ' SER . 23.7 tttt -56.92 -41.07 77.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.901 -0.59 . . . . 16.91 110.559 179.798 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.54 -42.76 98.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 24.0 110.485 179.612 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 69' ' ' MET . . . . . . . . . . . . . 53.9 ttp -60.81 -39.65 89.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.094 -0.503 . . . . 9.4800000000000004 110.486 179.694 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 59.7 t -70.61 -45.17 75.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.095 -0.502 . . . . 7.0199999999999996 110.761 179.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 71' ' ' PHE . . . . . 0.432 ' O ' ' CB ' ' C' ' 75' ' ' LYS . 46.4 t80 -51.64 -61.03 2.5 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.484 -0.326 . . . . 19.91 110.494 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -52.51 -40.64 62.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.293 -0.412 . . . . 12.57 110.324 179.677 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 73' ' ' THR . . . . . . . . . . . . . 17.7 m -65.62 -72.49 0.15 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 11.109999999999999 110.172 179.455 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 74' ' ' LEU . . . . . 0.48 ' CD1' ' CB ' ' D' ' 62' ' ' GLN . 13.7 mt -50.13 -35.4 25.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.064 -0.517 . . . . 18.969999999999999 110.889 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 75' ' ' LYS . . . . . 0.432 ' CB ' ' O ' ' C' ' 71' ' ' PHE . 13.4 ttpt -53.48 -67.93 0.22 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.121 -0.491 . . . . 19.899999999999999 110.122 179.406 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 76' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -63.24 -33.11 74.78 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.716 -0.674 . . . . 17.449999999999999 110.958 179.705 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.5 -64.06 1.01 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.345 -0.389 . . . . 20.850000000000001 110.533 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 78' ' ' TYR . . . . . . . . . . . . . 16.8 m-30 -53.32 -27.03 21.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.88 0.371 . . . . 27.09 110.552 179.616 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 9.7 mttt -63.37 -36.26 83.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 28.0 110.442 179.648 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.97 -27.22 67.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.005 -0.543 . . . . 31.91 110.668 179.737 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -76.2 -42.22 46.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 35.640000000000001 110.818 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 82' ' ' THR . . . . . . . . . . . . . 15.2 t . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.266 -0.873 . . . . 41.600000000000001 110.914 179.946 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' D' D ' 52' ' ' ARG . . . . . . . . . . . . . 8.5 mtt85 . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.655 0.264 . . . . 46.789999999999999 111.17 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' D' D ' 53' ' ' ASN . . . . . 0.422 ' OD1' ' CB ' ' D' ' 55' ' ' ALA . 7.2 p30 44.67 -171.96 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.118 -0.492 . . . . 41.18 111.333 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -81.52 -25.97 35.5 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.341 -0.39 . . . . 33.780000000000001 111.014 -179.735 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 55' ' ' ALA . . . . . 0.422 ' CB ' ' OD1' ' D' ' 53' ' ' ASN . . . -59.91 -51.64 68.84 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.355 -0.384 . . . . 33.079999999999998 110.931 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.16 -47.55 84.05 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.27 -0.423 . . . . 31.48 110.433 179.585 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 57' ' ' ARG . . . . . . . . . . . . . 20.7 tpp180 -59.73 -39.96 86.48 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.131 -0.486 . . . . 23.510000000000002 110.195 179.447 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 58' ' ' LEU . . . . . 0.431 HD21 ' CG2' ' B' ' 73' ' ' THR . 3.2 mt -58.41 -61.71 2.38 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.772 -0.649 . . . . 19.34 110.38 179.484 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 59' ' ' ALA . . . . . . . . . . . . . . . -45.89 -29.38 1.37 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.662 -0.699 . . . . 18.48 111.217 179.722 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 60' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -62.03 -53.35 56.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.92 -0.582 . . . . 23.609999999999999 110.714 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 61' ' ' GLU . . . . . 0.404 ' HG3' ' N ' ' D' ' 62' ' ' GLN . 1.6 pt-20 -60.26 -28.81 68.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.277 -0.42 . . . . 16.649999999999999 110.712 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 62' ' ' GLN . . . . . 0.48 ' CB ' ' CD1' ' C' ' 74' ' ' LEU . 15.4 mm-40 -72.48 -48.36 41.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 15.31 110.817 179.749 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 63' ' ' SER . . . . . 0.43 ' CB ' ' HG3' ' C' ' 67' ' ' LYS . 0.8 OUTLIER -56.96 -56.07 26.42 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.203 -0.453 . . . . 14.470000000000001 110.769 -179.941 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' D' D ' 64' ' ' GLU . . . . . 0.421 ' HG3' ' N ' ' D' ' 65' ' ' LEU . 7.9 pt-20 -50.97 -35.27 32.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 8.4499999999999993 110.786 179.732 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 65' ' ' LEU . . . . . 0.421 ' N ' ' HG3' ' D' ' 64' ' ' GLU . 0.1 OUTLIER -66.7 -38.32 86.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.067 -0.515 . . . . 6.8799999999999999 110.855 179.921 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' D' D ' 66' ' ' VAL . . . . . . . . . . . . . 23.5 t -68.94 -37.55 77.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.249 -0.432 . . . . 7.3700000000000001 111.211 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 67' ' ' LYS . . . . . . . . . . . . . 10.7 tttt -59.23 -59.15 5.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 15.119999999999999 110.899 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 68' ' ' LYS . . . . . . . . . . . . . 45.7 tttt -54.62 -31.03 56.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.376 -0.375 . . . . 18.600000000000001 110.745 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 69' ' ' MET . . . . . . . . . . . . . 48.3 ttp -69.15 -51.28 39.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 12.970000000000001 110.747 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 70' ' ' VAL . . . . . . . . . . . . . 61.5 t -77.57 -19.86 14.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 15.52 111.131 179.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -64.6 -52.78 55.7 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.928 0.394 . . . . 25.989999999999998 110.615 179.671 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -65.3 -40.33 93.65 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.061 -0.518 . . . . 28.43 110.684 179.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 73' ' ' THR . . . . . 0.402 ' CG2' HD21 ' B' ' 58' ' ' LEU . 15.6 m -53.53 -60.32 3.46 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.159 -0.473 . . . . 22.719999999999999 110.717 179.811 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 74' ' ' LEU . . . . . . . . . . . . . 32.2 mt -50.52 -39.12 47.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.081 -0.509 . . . . 21.109999999999999 110.876 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.31 -47.17 55.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 26.219999999999999 110.755 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 76' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -73.34 -26.89 61.22 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.011 -0.541 . . . . 30.129999999999999 110.614 179.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 77' ' ' LEU . . . . . . . . . . . . . 20.6 mt -66.74 -42.41 86.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.073 -0.512 . . . . 30.440000000000001 110.753 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 78' ' ' TYR . . . . . 0.444 ' CD2' ' HB1' ' C' ' 55' ' ' ALA . 9.0 m-85 -82.62 -36.14 26.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.103 -0.498 . . . . 32.659999999999997 110.952 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 79' ' ' LYS . . . . . . . . . . . . . 3.7 tttp -59.51 -48.58 81.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 42.700000000000003 110.835 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 80' ' ' LYS . . . . . . . . . . . . . 74.1 tttt -55.11 -67.55 0.26 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.162 -0.472 . . . . 39.57 110.907 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 81' ' ' THR . . . . . . . . . . . . . 6.0 t -84.01 72.92 10.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 40.359999999999999 111.052 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 82' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.21 -0.9 . . . . 47.420000000000002 110.833 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 12.2 ptt180 . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.826 0.346 . . . . 49.100000000000001 111.191 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -94.97 76.06 3.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.168 -0.469 . . . . 38.210000000000001 110.841 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.27 -28.01 61.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 39.869999999999997 110.853 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.87 -40.02 79.19 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.379 -0.373 . . . . 32.119999999999997 110.894 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -67.49 -56.99 7.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.284 -0.416 . . . . 28.41 110.545 179.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 4.6 mtt-85 -58.68 -45.21 89.94 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.954 -0.566 . . . . 29.440000000000001 110.362 179.623 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 13.1 mt -54.45 -52.84 60.54 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.827 -0.624 . . . . 31.870000000000001 110.465 179.698 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.5 -36.72 45.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.495 . . . . 25.93 110.701 179.722 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -73.2 -30.97 63.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.994 -0.548 . . . . 25.280000000000001 110.546 179.644 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -74.35 -45.41 47.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.052 -0.522 . . . . 26.129999999999999 110.627 179.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 58.3 mm-40 -57.3 -47.81 80.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.01 -0.541 . . . . 19.030000000000001 110.619 179.663 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 12.1 p -58.89 -40.01 83.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.053 -0.522 . . . . 16.100000000000001 110.644 179.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.42 -27.93 64.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.481 . . . . 17.460000000000001 110.568 179.775 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 71.0 mt -77.87 -34.53 51.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.148 -0.478 . . . . 20.309999999999999 110.061 179.437 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 87.1 t -76.57 -43.78 34.76 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 CA-C-N 115.899 -0.591 . . . . 11.720000000000001 110.627 179.366 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 20.2 ptmt -59.41 -42.81 92.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.073 -0.512 . . . . 15.359999999999999 110.541 179.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -63.27 -38.68 92.09 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.122 -0.49 . . . . 22.460000000000001 110.218 179.568 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 57.6 ttp -64.54 -43.2 94.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.961 -0.563 . . . . 9.8399999999999999 110.423 179.667 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.408 ' CG1' HD13 ' A' ' 74' ' ' LEU . 62.1 t -70.17 -41.97 79.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.1 -0.5 . . . . 7.6500000000000004 110.641 179.632 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 14.3 t80 -52.58 -63.98 0.97 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.368 -0.378 . . . . 21.02 110.43 179.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -51.05 -42.68 60.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.336 -0.393 . . . . 12.710000000000001 110.564 179.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.6 m -64.16 -71.06 0.19 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.384 -0.371 . . . . 10.26 110.267 179.603 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.475 ' CD1' ' CB ' ' B' ' 62' ' ' GLN . 19.1 mt -50.82 -33.93 25.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.081 -0.508 . . . . 18.039999999999999 110.882 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.7 ttpt -56.83 -65.53 0.6 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.037 -0.529 . . . . 19.98 110.185 179.441 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.61 -31.24 71.8 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.596 -0.729 . . . . 17.859999999999999 110.964 179.782 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.421 ' HB3' ' HA ' ' A' ' 74' ' ' LEU . 0.8 OUTLIER -61.96 -53.92 48.93 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.363 -0.381 . . . . 20.73 110.752 -179.871 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.474 ' CE2' ' HB3' ' A' ' 74' ' ' LEU . 22.9 m-85 -65.46 -22.21 66.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.375 -0.375 . . . . 27.699999999999999 110.828 179.752 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 3.3 mttt -74.17 -32.74 63.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.278 -0.419 . . . . 27.309999999999999 110.573 179.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.04 -29.65 68.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 31.07 110.957 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -67.54 -73.41 0.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 34.159999999999997 111.004 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 4.7 t . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.313 -0.851 . . . . 41.399999999999999 110.894 179.948 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.828 0.347 . . . . 44.100000000000001 111.202 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -113.46 28.4 8.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.129 -0.487 . . . . 39.450000000000003 110.759 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -70.93 -24.67 62.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.095 -0.502 . . . . 33.380000000000003 110.962 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.23 -45.94 83.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.301 -0.409 . . . . 31.609999999999999 111.114 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -61.01 -44.01 98.05 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.242 -0.436 . . . . 30.91 110.767 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 2.3 mtt-85 -62.8 -33.08 74.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 22.73 110.793 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . 0.424 ' O ' ' CG ' ' B' ' 62' ' ' GLN . 26.4 mt -71.51 -61.02 1.93 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 18.920000000000002 110.68 179.731 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -47.06 -30.31 2.64 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.873 -0.603 . . . . 18.949999999999999 111.2 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -69.02 -58.58 3.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.066 -0.516 . . . . 24.760000000000002 110.806 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . 0.43 ' HA ' ' CG ' ' B' ' 64' ' ' GLU . 2.1 mm-40 -58.26 -29.98 66.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 16.73 110.691 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . 0.475 ' CB ' ' CD1' ' A' ' 74' ' ' LEU . 2.1 mm-40 -71.93 -38.63 69.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.96 -0.564 . . . . 14.91 110.773 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -69.76 -57.26 5.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.118 -0.492 . . . . 14.41 110.793 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . 0.43 ' CG ' ' HA ' ' B' ' 61' ' ' GLU . 0.0 OUTLIER -50.84 -30.27 13.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.332 -0.395 . . . . 8.5999999999999996 110.564 179.717 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.21 -49.91 57.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.949 -0.568 . . . . 7.6399999999999997 110.526 179.638 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 38.2 t -57.54 -31.86 40.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 6.7400000000000002 110.918 179.682 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . 0.417 ' O ' ' N ' ' B' ' 71' ' ' PHE . 0.1 OUTLIER -60.87 -53.32 58.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.002 -0.544 . . . . 11.84 111.158 -179.876 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 22.1 tttt -58.96 -34.28 71.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.395 -0.366 . . . . 19.489999999999998 111.086 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 69' ' ' MET . . . . . . . . . . . . . 35.2 ttp -73.36 -45.2 56.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 13.25 111.103 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . 0.408 HG23 HD11 ' C' ' 74' ' ' LEU . 95.0 t -79.72 -21.54 12.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.304 -0.407 . . . . 15.43 111.227 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.417 ' N ' ' O ' ' B' ' 67' ' ' LYS . 60.7 t80 -68.94 -39.7 79.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.369 -0.378 . . . . 25.379999999999999 110.632 179.774 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -70.84 -50.01 40.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 28.399999999999999 110.564 179.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 73' ' ' THR . . . . . . . . . . . . . 98.3 m -52.84 -43.27 65.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.052 -0.522 . . . . 23.43 110.736 179.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 71.6 mt -63.89 -36.62 84.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.084 -0.507 . . . . 21.510000000000002 110.689 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -51.83 -44.41 63.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 25.84 110.685 179.842 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 74.7 m-20 -75.71 -36.39 60.01 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.989 -0.551 . . . . 30.850000000000001 110.647 179.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . 0.432 ' CD1' ' CD1' ' C' ' 78' ' ' TYR . 17.4 mt -57.77 -42.05 83.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.007 -0.542 . . . . 29.98 110.636 179.717 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -82.24 -33.09 29.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.025 -0.534 . . . . 31.82 110.893 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 6.0 ttmt -53.53 -38.56 63.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 43.07 110.811 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 8.6 mttt -70.98 -22.49 62.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 40.170000000000002 110.94 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 10.2 t -139.04 67.98 1.39 Allowed 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 116.308 -0.405 . . . . 39.310000000000002 110.834 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.252 -0.88 . . . . 46.560000000000002 110.876 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 52' ' ' ARG . . . . . . . . . . . . . 12.2 ptt180 . . . . . 0 N--CA 1.486 1.33 0 CA-C-O 120.775 0.321 . . . . 48.43 111.278 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 53' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -95.1 76.2 3.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 42.990000000000002 110.851 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.37 -27.89 60.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.479 . . . . 39.460000000000001 110.894 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.97 -39.99 79.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.288 -0.415 . . . . 35.409999999999997 110.935 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -67.5 -56.97 7.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.451 . . . . 31.510000000000002 110.593 179.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 57' ' ' ARG . . . . . . . . . . . . . 4.7 mtt-85 -58.7 -45.16 90.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.903 -0.59 . . . . 36.060000000000002 110.402 179.62 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 13.2 mt -54.32 -53.02 59.53 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.869 -0.605 . . . . 26.57 110.486 179.644 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.34 -36.83 44.73 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.017 -0.538 . . . . 20.859999999999999 110.668 179.675 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -73.15 -31.07 64.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.042 -0.527 . . . . 23.059999999999999 110.562 179.701 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -74.18 -45.56 47.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.047 -0.524 . . . . 23.539999999999999 110.67 179.718 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 58.5 mm-40 -57.22 -47.88 80.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.932 -0.576 . . . . 25.649999999999999 110.516 179.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 63' ' ' SER . . . . . . . . . . . . . 12.1 p -58.69 -40.15 82.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.079 -0.51 . . . . 17.32 110.612 179.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.35 -28.03 64.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.469 . . . . 24.949999999999999 110.597 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 65' ' ' LEU . . . . . . . . . . . . . 72.4 mt -77.75 -34.64 52.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.09 -0.504 . . . . 17.649999999999999 110.083 179.48 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 66' ' ' VAL . . . . . . . . . . . . . 91.0 t -76.55 -43.91 34.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.846 -0.616 . . . . 16.32 110.633 179.438 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 67' ' ' LYS . . . . . . . . . . . . . 20.2 ptmt -59.25 -42.98 92.39 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.975 -0.557 . . . . 15.76 110.527 179.694 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 68' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -63.09 -38.58 91.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 15.17 110.285 179.54 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 69' ' ' MET . . . . . . . . . . . . . 57.7 ttp -64.64 -43.28 94.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.003 -0.544 . . . . 8.2599999999999998 110.446 179.649 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 70' ' ' VAL . . . . . 0.408 ' CG1' HD13 ' C' ' 74' ' ' LEU . 59.7 t -70.19 -42.08 78.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.016 -0.538 . . . . 9.8399999999999999 110.578 179.678 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 71' ' ' PHE . . . . . . . . . . . . . 14.3 t80 -52.28 -64.1 0.92 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.422 -0.354 . . . . 9.9199999999999999 110.388 179.679 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -51.12 -42.31 60.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.325 -0.398 . . . . 11.119999999999999 110.633 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 73' ' ' THR . . . . . . . . . . . . . 18.6 m -64.38 -70.93 0.2 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.327 -0.397 . . . . 13.130000000000001 110.279 179.579 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 74' ' ' LEU . . . . . 0.482 ' HB3' ' CE2' ' C' ' 78' ' ' TYR . 20.0 mt -50.77 -34.27 26.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.085 -0.507 . . . . 16.059999999999999 110.932 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 75' ' ' LYS . . . . . . . . . . . . . 3.7 ttpt -56.64 -65.55 0.59 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.977 -0.556 . . . . 13.960000000000001 110.227 179.499 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 76' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.64 -31.26 71.83 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.675 -0.693 . . . . 16.359999999999999 110.966 179.709 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 77' ' ' LEU . . . . . 0.402 ' HB3' ' HA ' ' C' ' 74' ' ' LEU . 0.7 OUTLIER -61.92 -53.97 48.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.404 -0.362 . . . . 21.18 110.718 -179.884 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' C' C ' 78' ' ' TYR . . . . . 0.482 ' CE2' ' HB3' ' C' ' 74' ' ' LEU . 22.7 m-85 -65.35 -22.37 66.8 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.418 -0.355 . . . . 25.210000000000001 110.865 179.7 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 3.4 mttt -74.16 -32.43 63.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.309 -0.405 . . . . 29.300000000000001 110.648 179.719 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.22 -29.57 68.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 26.870000000000001 110.995 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 81' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -67.6 -73.47 0.14 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.128 -0.487 . . . . 34.729999999999997 110.951 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 82' ' ' THR . . . . . . . . . . . . . 4.7 t . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.353 -0.832 . . . . 37.850000000000001 110.947 -179.983 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' D' D ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.888 0.375 . . . . 46.890000000000001 111.213 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -113.31 28.42 8.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 40.729999999999997 110.747 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -71.0 -24.49 62.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.119 -0.492 . . . . 34.859999999999999 110.958 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.4 -46.03 83.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.292 -0.413 . . . . 32.25 111.02 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -60.89 -43.86 97.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 32.030000000000001 110.815 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 57' ' ' ARG . . . . . . . . . . . . . 2.4 mtt-85 -63.01 -32.77 74.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 33.119999999999997 110.738 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 58' ' ' LEU . . . . . 0.426 ' O ' ' CG ' ' D' ' 62' ' ' GLN . 26.6 mt -71.82 -60.8 2.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 22.879999999999999 110.691 179.801 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 59' ' ' ALA . . . . . . . . . . . . . . . -47.22 -30.03 2.74 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.937 -0.574 . . . . 20.309999999999999 111.18 179.732 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 60' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.29 -58.44 4.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.053 -0.521 . . . . 19.41 110.802 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 61' ' ' GLU . . . . . 0.436 ' HA ' ' CG ' ' D' ' 64' ' ' GLU . 2.1 mm-40 -58.53 -29.73 66.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.286 -0.415 . . . . 12.73 110.755 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 62' ' ' GLN . . . . . 0.452 ' CB ' ' CD1' ' C' ' 74' ' ' LEU . 2.0 mm-40 -72.03 -38.77 69.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.994 -0.548 . . . . 11.859999999999999 110.787 179.815 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 63' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -69.59 -57.27 5.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.075 -0.511 . . . . 17.859999999999999 110.918 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 64' ' ' GLU . . . . . 0.436 ' CG ' ' HA ' ' D' ' 61' ' ' GLU . 0.0 OUTLIER -50.83 -30.38 14.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.99 0.424 . . . . 18.829999999999998 110.608 179.702 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' D' D ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.08 -49.93 58.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.919 -0.582 . . . . 10.85 110.593 179.622 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 66' ' ' VAL . . . . . . . . . . . . . 38.3 t -57.6 -31.85 40.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.069 -0.514 . . . . 10.140000000000001 110.929 179.699 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.82 -53.32 58.73 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.933 -0.576 . . . . 19.050000000000001 111.21 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 68' ' ' LYS . . . . . . . . . . . . . 21.9 tttt -59.06 -34.1 71.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.321 -0.399 . . . . 12.609999999999999 111.093 -179.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 69' ' ' MET . . . . . . . . . . . . . 35.0 ttp -73.48 -45.25 55.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 11.300000000000001 111.133 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 70' ' ' VAL . . . . . . . . . . . . . 99.9 t -79.68 -21.6 12.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 11.66 111.191 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -68.75 -39.73 80.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.957 0.408 . . . . 18.66 110.707 179.686 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -70.77 -50.14 39.12 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.049 -0.523 . . . . 23.91 110.521 179.639 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 73' ' ' THR . . . . . . . . . . . . . 98.3 m -52.61 -43.36 65.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.077 -0.51 . . . . 22.210000000000001 110.659 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 74' ' ' LEU . . . . . . . . . . . . . 71.3 mt -63.93 -36.67 84.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 26.920000000000002 110.821 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 75' ' ' LYS . . . . . . . . . . . . . 1.1 ttpt -51.95 -43.94 63.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 30.859999999999999 110.764 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 76' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -76.18 -36.18 58.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.049 -0.523 . . . . 29.710000000000001 110.51 179.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 77' ' ' LEU . . . . . 0.407 ' CD1' ' CD1' ' A' ' 78' ' ' TYR . 17.2 mt -57.97 -41.87 83.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.961 -0.563 . . . . 28.43 110.66 179.734 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 78' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -82.44 -33.02 28.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.005 -0.543 . . . . 34.409999999999997 110.815 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 79' ' ' LYS . . . . . . . . . . . . . 6.0 ttmt -53.54 -38.61 63.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 42.140000000000001 110.871 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 80' ' ' LYS . . . . . . . . . . . . . 8.6 mttt -70.93 -22.47 62.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 43.869999999999997 110.984 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 81' ' ' THR . . . . . . . . . . . . . 10.2 t -139.03 67.78 1.39 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.377 -0.374 . . . . 39.979999999999997 110.955 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 82' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.242 -0.885 . . . . 48.880000000000003 110.856 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 18.8 tpt180 . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.908 0.385 . . . . 48.759999999999998 111.247 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -62.64 89.11 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 36.450000000000003 110.811 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 52.9 m-20 -51.91 -29.74 21.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 38.740000000000002 110.833 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.27 -43.44 98.88 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.869 0.366 . . . . 31.420000000000002 110.718 179.732 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -65.55 -51.03 62.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 27.989999999999998 110.496 179.668 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 47.1 mtp180 -62.37 -44.88 95.44 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.953 -0.567 . . . . 26.98 110.384 179.459 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 13.7 mt -56.23 -49.9 72.8 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.729 -0.668 . . . . 28.760000000000002 110.771 179.72 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.41 -37.76 50.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.078 -0.51 . . . . 25.77 110.905 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.45 -34.72 65.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.107 -0.497 . . . . 26.440000000000001 110.775 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -69.78 -47.41 63.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 27.620000000000001 110.742 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 47.1 mm-40 -59.95 -40.98 90.83 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.059 -0.519 . . . . 20.239999999999998 110.685 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 59.0 m -67.29 -31.86 72.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 16.41 110.814 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -60.12 -49.72 76.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 18.02 110.598 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.6 mt -56.17 -44.69 79.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.052 -0.522 . . . . 18.289999999999999 110.724 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.413 ' HA ' ' HG2' ' A' ' 69' ' ' MET . 72.2 t -68.31 -46.45 80.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.197 -0.456 . . . . 11.109999999999999 110.865 179.797 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.26 -25.04 67.49 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.203 -0.453 . . . . 19.52 110.471 179.55 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 13.8 ttpt -79.05 -42.78 25.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.078 -0.51 . . . . 22.379999999999999 110.731 179.64 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.413 ' HG2' ' HA ' ' A' ' 66' ' ' VAL . 8.0 ptt? -66.72 -27.16 67.4 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.279 -0.419 . . . . 9.3300000000000001 110.718 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 62.5 t -78.15 -44.03 27.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.233 -0.44 . . . . 5.4000000000000004 110.539 179.64 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.415 ' O ' ' CB ' ' A' ' 75' ' ' LYS . 35.8 t80 -49.94 -58.33 5.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.327 -0.397 . . . . 16.719999999999999 110.533 179.776 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -54.92 -45.55 74.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 9.7100000000000009 110.349 179.46 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 19.0 m -60.99 -68.97 0.26 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.965 -0.561 . . . . 12.65 110.373 179.677 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.445 ' CD1' ' HB3' ' B' ' 62' ' ' GLN . 14.2 mt -52.34 -38.81 59.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 19.460000000000001 111.016 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.415 ' CB ' ' O ' ' A' ' 71' ' ' PHE . 14.0 tttt -54.63 -68.59 0.17 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.127 0.489 . . . . 23.309999999999999 110.176 179.474 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -62.46 -29.44 70.53 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.66 -0.7 . . . . 15.800000000000001 110.938 179.695 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.416 ' HB3' ' HA ' ' A' ' 74' ' ' LEU . 0.7 OUTLIER -65.15 -60.97 2.44 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.29 -0.414 . . . . 19.809999999999999 110.665 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.48 ' CD1' HD13 ' D' ' 77' ' ' LEU . 20.8 m-85 -56.54 -26.42 54.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.352 -0.385 . . . . 25.829999999999998 110.486 179.716 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.89 -28.22 68.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.49 . . . . 27.07 110.719 179.799 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.64 -42.43 98.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 30.050000000000001 110.835 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 71.4 p -63.63 -76.89 0.06 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.102 -0.499 . . . . 34.009999999999998 110.796 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.2 t . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.234 -0.889 . . . . 40.210000000000001 110.854 -179.963 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 15.6 mtp180 . . . . . 0 N--CA 1.487 1.42 0 CA-C-O 120.815 0.341 . . . . 46.689999999999998 111.112 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 53' ' ' ASN . . . . . 0.416 ' N ' ' ND2' ' B' ' 53' ' ' ASN . 0.1 OUTLIER -174.72 -177.3 1.13 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.102 -0.499 . . . . 40.329999999999998 110.78 -179.906 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -55.05 -36.09 65.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.262 -0.426 . . . . 34.060000000000002 111.011 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -52.05 -41.42 62.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.257 -0.428 . . . . 34.049999999999997 110.878 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -70.16 -50.54 39.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.128 -0.487 . . . . 30.329999999999998 110.765 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 6.2 mtt180 -58.96 -38.73 79.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 27.940000000000001 110.644 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . 0.426 HD22 ' NE2' ' B' ' 62' ' ' GLN . 60.0 mt -63.7 -60.48 3.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.064 -0.516 . . . . 19.309999999999999 110.67 179.723 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 59' ' ' ALA . . . . . 0.424 ' O ' ' CB ' ' B' ' 63' ' ' SER . . . -47.95 -28.18 2.58 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.847 -0.615 . . . . 18.420000000000002 111.135 179.815 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 62.3 t0 -73.67 -62.29 1.54 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 22.149999999999999 110.874 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -57.4 -41.44 80.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.435 -0.348 . . . . 16.16 110.55 179.709 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . 0.445 ' HB3' ' CD1' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -67.47 -39.85 85.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 15.85 110.974 179.695 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 63' ' ' SER . . . . . 0.424 ' CB ' ' O ' ' B' ' 59' ' ' ALA . 78.9 p -70.78 -56.71 5.75 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.393 -0.367 . . . . 14.300000000000001 110.7 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 23.1 pt-20 -50.91 -35.59 33.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.434 . . . . 10.369999999999999 110.735 179.758 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 3.8 tt -61.68 -43.46 98.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.195 -0.457 . . . . 6.8499999999999996 110.648 179.747 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 11.1 t -57.61 -42.48 81.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 8.4499999999999993 110.985 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 8.2 tttp -54.7 -57.8 10.04 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.077 -0.511 . . . . 18.809999999999999 110.866 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 1.5 mptt -52.79 -38.13 60.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 20.140000000000001 110.762 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 69' ' ' MET . . . . . . . . . . . . . 16.7 ttp -67.04 -49.9 63.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 13.1 110.952 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 75.2 t -72.69 -24.83 21.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.01 -0.541 . . . . 15.51 111.37 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -59.9 -49.44 77.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.867 0.365 . . . . 26.510000000000002 110.644 179.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -64.33 -45.29 88.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 28.710000000000001 110.58 179.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 73' ' ' THR . . . . . 0.41 HG22 ' CE1' ' C' ' 78' ' ' TYR . 51.6 m -52.18 -50.48 61.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.097 -0.501 . . . . 21.239999999999998 110.795 179.756 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 36.0 mt -62.06 -41.22 97.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.114 -0.494 . . . . 21.309999999999999 110.834 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -50.19 -39.02 42.73 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.288 -0.414 . . . . 27.940000000000001 110.624 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -80.93 -34.99 32.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.953 -0.567 . . . . 30.710000000000001 110.563 179.651 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . 0.479 HD13 ' CD1' ' C' ' 78' ' ' TYR . 19.0 mt -58.77 -42.54 89.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.029 -0.532 . . . . 30.43 110.847 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -79.06 -46.93 17.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.497 . . . . 33.340000000000003 110.846 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 12.3 ttpt -53.49 -27.29 24.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.992 -0.549 . . . . 41.420000000000002 111.093 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 10.5 mttm -77.4 -17.36 58.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 41.899999999999999 111.301 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 4.0 t -152.27 92.59 1.71 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.826 0.346 . . . . 41.43 111.057 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 26.5 p . . . . . 0 C--O 1.248 1.005 0 CA-C-O 118.243 -0.884 . . . . 47.450000000000003 110.883 179.891 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 52' ' ' ARG . . . . . . . . . . . . . 19.0 tpt180 . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.911 0.386 . . . . 46.060000000000002 111.217 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 53' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -62.55 88.99 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 42.189999999999998 110.887 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 53.5 m-20 -51.81 -29.76 20.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 41.219999999999999 110.868 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.35 -43.26 99.18 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.421 -0.354 . . . . 35.810000000000002 110.808 179.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -65.61 -51.22 61.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.127 -0.488 . . . . 31.739999999999998 110.462 179.58 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 57' ' ' ARG . . . . . . . . . . . . . 46.8 mtp180 -62.23 -44.92 95.46 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.881 -0.6 . . . . 39.859999999999999 110.396 179.484 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 13.8 mt -56.19 -50.09 72.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.748 -0.66 . . . . 30.140000000000001 110.705 179.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.16 -37.74 48.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.089 -0.505 . . . . 20.91 110.94 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.49 -34.68 65.42 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.138 -0.483 . . . . 19.210000000000001 110.795 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -69.9 -47.3 63.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.476 . . . . 21.41 110.811 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 46.4 mm-40 -60.0 -41.02 91.2 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.018 -0.537 . . . . 24.539999999999999 110.734 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 63' ' ' SER . . . . . . . . . . . . . 59.9 m -67.13 -32.1 73.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 17.969999999999999 110.902 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -60.03 -49.64 76.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.216 -0.447 . . . . 26.84 110.624 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 65' ' ' LEU . . . . . . . . . . . . . 3.6 mt -56.05 -44.86 79.25 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.053 -0.522 . . . . 20.010000000000002 110.754 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 66' ' ' VAL . . . . . 0.404 ' O ' ' HG2' ' C' ' 69' ' ' MET . 67.6 t -68.24 -46.49 80.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.211 -0.449 . . . . 16.800000000000001 110.85 179.779 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 67' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.03 -25.19 67.73 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.239 -0.437 . . . . 10.1 110.476 179.5 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 68' ' ' LYS . . . . . . . . . . . . . 13.8 ttpt -79.14 -42.58 25.87 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.074 -0.512 . . . . 14.58 110.775 179.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 69' ' ' MET . . . . . 0.404 ' HG2' ' O ' ' C' ' 66' ' ' VAL . 7.9 ptt? -66.85 -27.0 67.18 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.318 -0.401 . . . . 10.1 110.748 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 62.7 t -78.25 -43.81 27.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.179 -0.464 . . . . 9.7300000000000004 110.604 179.604 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 71' ' ' PHE . . . . . 0.42 ' O ' ' CB ' ' C' ' 75' ' ' LYS . 35.7 t80 -50.08 -58.51 5.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.289 -0.414 . . . . 16.059999999999999 110.487 179.705 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -54.85 -45.61 74.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 12.550000000000001 110.272 179.541 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 73' ' ' THR . . . . . . . . . . . . . 19.2 m -61.03 -68.96 0.26 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.028 -0.533 . . . . 10.630000000000001 110.456 179.649 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 74' ' ' LEU . . . . . 0.435 ' CD1' ' HB3' ' D' ' 62' ' ' GLN . 14.3 mt -52.3 -38.9 59.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 14.56 111.076 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 75' ' ' LYS . . . . . 0.42 ' CB ' ' O ' ' C' ' 71' ' ' PHE . 14.0 tttt -54.48 -68.61 0.17 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.2 -0.455 . . . . 14.65 110.201 179.412 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 76' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -62.56 -29.41 70.56 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.618 -0.719 . . . . 17.870000000000001 110.906 179.735 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 77' ' ' LEU . . . . . 0.413 ' HB3' ' HA ' ' C' ' 74' ' ' LEU . 0.7 OUTLIER -65.01 -61.04 2.39 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.426 -0.352 . . . . 21.27 110.612 179.921 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' C' C ' 78' ' ' TYR . . . . . 0.479 ' CD1' HD13 ' B' ' 77' ' ' LEU . 20.9 m-85 -56.49 -26.47 54.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.954 0.406 . . . . 27.620000000000001 110.578 179.678 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.85 -28.5 68.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.075 -0.511 . . . . 25.829999999999998 110.692 179.742 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.25 -42.51 98.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.172 -0.467 . . . . 30.800000000000001 110.915 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 81' ' ' THR . . . . . . . . . . . . . 71.4 p -63.69 -76.62 0.06 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.126 -0.488 . . . . 34.890000000000001 110.833 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 82' ' ' THR . . . . . . . . . . . . . 1.2 t . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.238 -0.887 . . . . 38.770000000000003 110.864 -179.993 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' D' D ' 52' ' ' ARG . . . . . . . . . . . . . 15.8 mtp180 . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.866 0.365 . . . . 47.670000000000002 111.147 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' D' D ' 53' ' ' ASN . . . . . 0.415 ' ND2' ' N ' ' D' ' 53' ' ' ASN . 0.1 OUTLIER -174.71 -177.32 1.14 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.133 -0.485 . . . . 38.670000000000002 110.825 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -54.99 -36.17 65.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 33.100000000000001 111.058 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 55' ' ' ALA . . . . . . . . . . . . . . . -51.98 -41.44 62.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 30.16 110.894 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -70.0 -50.75 38.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.056 -0.52 . . . . 33.109999999999999 110.755 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 57' ' ' ARG . . . . . . . . . . . . . 6.1 mtt180 -58.76 -38.77 79.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 27.859999999999999 110.697 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 58' ' ' LEU . . . . . 0.415 HD22 ' NE2' ' D' ' 62' ' ' GLN . 60.7 mt -63.75 -60.25 3.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.069 -0.514 . . . . 22.23 110.719 179.737 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 59' ' ' ALA . . . . . 0.421 ' O ' ' CB ' ' D' ' 63' ' ' SER . . . -48.14 -28.1 2.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.742 -0.663 . . . . 21.73 111.174 179.83 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 60' ' ' ASP . . . . . . . . . . . . . 62.5 t0 -73.84 -62.02 1.64 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.103 -0.499 . . . . 18.390000000000001 110.817 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 61' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -57.56 -41.37 80.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.44 -0.346 . . . . 12.99 110.536 179.742 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 62' ' ' GLN . . . . . 0.435 ' HB3' ' CD1' ' C' ' 74' ' ' LEU . 0.0 OUTLIER -67.44 -39.74 85.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 10.75 110.966 179.785 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' D' D ' 63' ' ' SER . . . . . 0.421 ' CB ' ' O ' ' D' ' 59' ' ' ALA . 78.8 p -70.86 -56.81 5.47 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.327 -0.397 . . . . 16.600000000000001 110.755 179.816 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 64' ' ' GLU . . . . . . . . . . . . . 23.0 pt-20 -50.95 -35.49 33.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 17.09 110.738 179.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 65' ' ' LEU . . . . . . . . . . . . . 3.7 tt -61.76 -43.5 98.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.13 -0.486 . . . . 11.4 110.682 179.669 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 66' ' ' VAL . . . . . . . . . . . . . 11.0 t -57.71 -42.3 81.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.249 -0.432 . . . . 8.6799999999999997 111.034 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 67' ' ' LYS . . . . . . . . . . . . . 8.2 tttp -54.71 -57.89 9.72 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.062 -0.517 . . . . 13.92 110.78 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 68' ' ' LYS . . . . . . . . . . . . . 1.5 mptt -52.61 -38.14 59.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 9.9900000000000002 110.784 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 69' ' ' MET . . . . . . . . . . . . . 16.7 ttp -67.03 -49.98 63.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 11.26 110.868 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 70' ' ' VAL . . . . . . . . . . . . . 77.4 t -72.65 -24.91 21.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.02 -0.537 . . . . 10.789999999999999 111.355 -179.606 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -59.81 -49.45 77.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.782 0.325 . . . . 17.82 110.698 179.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -64.29 -45.64 87.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 24.57 110.559 179.72 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 73' ' ' THR . . . . . . . . . . . . . 52.5 m -51.77 -50.66 60.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 24.079999999999998 110.791 179.73 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 74' ' ' LEU . . . . . . . . . . . . . 35.9 mt -61.89 -41.43 97.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 27.09 110.859 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 75' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -49.91 -39.07 38.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.937 0.399 . . . . 29.16 110.65 179.835 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 76' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -81.08 -34.71 32.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.94 -0.573 . . . . 28.030000000000001 110.615 179.712 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 77' ' ' LEU . . . . . 0.48 HD13 ' CD1' ' A' ' 78' ' ' TYR . 19.0 mt -59.0 -42.6 90.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.036 -0.529 . . . . 28.289999999999999 110.705 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 78' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -78.97 -47.13 16.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 33.649999999999999 110.81 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 79' ' ' LYS . . . . . . . . . . . . . 12.4 ttpt -53.33 -27.29 22.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.076 -0.511 . . . . 44.869999999999997 111.1 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 80' ' ' LYS . . . . . . . . . . . . . 10.6 mttm -77.27 -17.6 58.25 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.272 -0.422 . . . . 41.140000000000001 111.362 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 81' ' ' THR . . . . . . . . . . . . . 4.0 t -152.15 92.74 1.74 Allowed 'General case' 0 N--CA 1.455 -0.209 0 CA-C-O 120.781 0.324 . . . . 39.689999999999998 110.964 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 82' ' ' THR . . . . . . . . . . . . . 26.7 p . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.174 -0.917 . . . . 48.560000000000002 110.839 179.908 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.778 0.323 . . . . 48.789999999999999 111.207 . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -136.52 82.41 1.94 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 36.950000000000003 111.056 -179.901 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -61.15 -35.75 77.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.266 -0.425 . . . . 36.579999999999998 110.738 179.804 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.0 -44.38 96.18 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.183 -0.462 . . . . 31.32 110.637 179.694 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.6 -49.24 69.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 27.920000000000002 110.31 179.523 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 1.4 tmm_? -62.67 -45.13 94.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.95 -0.568 . . . . 28.329999999999998 110.088 179.339 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 14.9 mt -57.15 -47.23 81.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.686 -0.688 . . . . 27.199999999999999 110.574 179.494 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -52.84 -33.79 51.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.047 -0.524 . . . . 24.719999999999999 110.811 179.839 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -79.48 -27.04 41.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 27.170000000000002 110.696 179.868 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -70.72 -52.86 18.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.434 . . . . 28.309999999999999 110.72 179.874 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.425 ' CA ' ' OE1' ' A' ' 62' ' ' GLN . 0.4 OUTLIER -61.69 -39.58 91.97 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.962 -0.563 . . . . 21.010000000000002 110.363 179.681 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 66.5 m -62.71 -32.79 73.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.0 -0.545 . . . . 16.550000000000001 110.603 179.769 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -64.08 -43.07 96.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.102 -0.499 . . . . 18.620000000000001 110.61 179.71 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.6 mt -59.9 -33.1 71.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 17.120000000000001 110.505 179.68 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 49.0 t -74.4 -46.8 42.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.981 -0.554 . . . . 10.449999999999999 110.944 179.805 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 10.5 tttm -61.39 -45.1 95.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 21.140000000000001 110.628 179.803 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.1 mtmm -62.57 -33.87 75.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.145 -0.48 . . . . 21.98 110.605 179.842 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 36.4 ttp -71.22 -38.6 71.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.109 -0.496 . . . . 7.8700000000000001 110.67 179.853 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 55.4 t -71.89 -41.5 69.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.487 . . . . 5.6699999999999999 110.851 179.779 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.433 ' O ' ' CB ' ' A' ' 75' ' ' LYS . 33.2 t80 -53.55 -60.69 2.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.47 -0.332 . . . . 12.94 110.536 179.895 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.49 -42.79 61.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.43 -0.35 . . . . 8.6099999999999994 110.577 179.812 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 17.8 m -65.64 -71.94 0.17 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.222 -0.445 . . . . 13.75 110.322 179.651 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.477 ' CD1' ' CB ' ' B' ' 62' ' ' GLN . 15.1 mt -49.94 -35.09 22.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.089 -0.505 . . . . 19.870000000000001 111.12 -179.969 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.433 ' CB ' ' O ' ' A' ' 71' ' ' PHE . 12.2 tttt -54.17 -71.36 0.08 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.146 0.498 . . . . 20.539999999999999 110.198 179.241 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.44 -30.11 69.44 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.677 -0.692 . . . . 14.609999999999999 110.763 179.636 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.433 ' HB3' ' HA ' ' A' ' 74' ' ' LEU . 0.6 OUTLIER -65.29 -66.47 0.54 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.361 -0.381 . . . . 20.140000000000001 110.695 179.96 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.475 ' CE2' ' HB3' ' A' ' 74' ' ' LEU . 19.1 m-85 -54.09 -23.36 13.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.324 -0.398 . . . . 25.109999999999999 110.887 179.85 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 4.7 mmtp -74.86 -29.14 60.94 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.348 -0.387 . . . . 27.949999999999999 110.533 179.823 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.05 -33.82 70.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.025 -0.534 . . . . 28.710000000000001 110.963 179.924 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -56.76 -50.44 72.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 33.560000000000002 110.778 -179.96 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 4.2 p . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.242 -0.885 . . . . 39.700000000000003 110.916 179.941 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 12.7 mmt180 . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.827 0.346 . . . . 44.780000000000001 111.199 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -118.16 24.32 11.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 40.890000000000001 111.023 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.6 -25.55 68.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.291 -0.413 . . . . 34.990000000000002 110.802 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.31 -56.24 22.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.293 -0.412 . . . . 35.119999999999997 110.712 179.754 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.49 -38.94 91.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.039 -0.528 . . . . 32.25 110.393 179.5 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 10.5 ttm180 -65.89 -33.61 76.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.091 -0.504 . . . . 28.489999999999998 110.088 179.344 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . 0.402 ' O ' ' HG2' ' B' ' 62' ' ' GLN . 11.5 mt -66.08 -58.69 4.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.819 -0.628 . . . . 20.780000000000001 110.737 179.829 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -46.35 -37.66 7.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.905 -0.589 . . . . 17.620000000000001 110.936 179.825 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.52 -48.32 81.22 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.896 -0.593 . . . . 23.309999999999999 110.36 179.579 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -66.42 -32.4 73.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.974 -0.557 . . . . 15.91 110.375 179.635 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . 0.477 ' CB ' ' CD1' ' A' ' 74' ' ' LEU . 15.0 mm-40 -71.29 -44.78 64.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.069 -0.514 . . . . 16.300000000000001 110.481 179.461 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 1.3 m -61.7 -55.83 26.14 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.121 -0.49 . . . . 15.19 110.673 179.858 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 20.4 pt-20 -51.08 -33.25 25.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.051 -0.522 . . . . 12.630000000000001 110.675 179.741 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.05 -42.55 94.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 7.8300000000000001 110.569 179.694 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 3.6 t -64.16 -37.86 80.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.228 -0.442 . . . . 8.6199999999999992 111.038 179.849 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 25.3 ttmt -54.96 -61.99 1.95 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.103 -0.499 . . . . 21.190000000000001 110.883 179.961 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 1.4 tttm -50.83 -36.57 38.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.134 -0.485 . . . . 15.369999999999999 110.743 179.852 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 69' ' ' MET . . . . . . . . . . . . . 30.2 ttp -67.65 -49.56 62.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.991 -0.55 . . . . 12.83 110.963 -179.92 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 66.5 t -74.84 -23.67 17.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 15.49 111.211 -179.876 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 18.1 t80 -65.5 -35.47 80.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.307 -0.406 . . . . 25.800000000000001 110.663 179.814 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -74.83 -45.09 45.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.054 -0.521 . . . . 27.98 110.719 179.831 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 73' ' ' THR . . . . . . . . . . . . . 58.2 m -57.86 -53.76 54.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 20.609999999999999 110.9 179.856 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 56.5 mt -55.82 -41.03 73.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.267 -0.424 . . . . 22.390000000000001 110.839 179.951 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.13 -47.48 45.43 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.03 0.443 . . . . 29.41 110.742 179.783 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -71.83 -33.45 68.49 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.854 -0.612 . . . . 31.510000000000002 110.666 179.679 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 16.2 mt -62.37 -49.41 75.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.063 -0.517 . . . . 30.800000000000001 110.893 179.842 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -76.17 -29.69 57.81 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.153 -0.476 . . . . 33.75 110.826 179.98 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 17.6 tppt? -59.04 -27.25 65.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 40.32 110.937 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 4.9 mttm -55.29 -84.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 42.390000000000001 110.777 179.949 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 7.6 t -72.71 76.46 1.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 43.219999999999999 110.886 -179.982 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.224 -0.894 . . . . 50.630000000000003 110.958 179.962 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.404 0 CA-C-O 120.828 0.347 . . . . 48.07 111.114 . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 53' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -136.58 82.24 1.93 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 41.93 111.008 -179.983 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -61.05 -35.69 77.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.262 -0.426 . . . . 41.780000000000001 110.671 179.794 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.12 -44.34 95.89 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.216 -0.447 . . . . 35.590000000000003 110.657 179.683 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.61 -49.38 68.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.09 -0.505 . . . . 31.100000000000001 110.264 179.587 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 57' ' ' ARG . . . . . . . . . . . . . 1.4 tmm_? -62.5 -44.96 95.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.85 -0.614 . . . . 39.5 110.144 179.342 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 15.0 mt -57.33 -47.28 81.96 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.653 -0.703 . . . . 30.960000000000001 110.604 179.533 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -52.84 -33.82 51.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.973 -0.558 . . . . 21.780000000000001 110.864 179.869 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -79.25 -27.23 42.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.093 -0.503 . . . . 19.77 110.716 179.822 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -70.64 -52.96 17.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 20.899999999999999 110.705 179.913 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 62' ' ' GLN . . . . . 0.428 ' CA ' ' OE1' ' C' ' 62' ' ' GLN . 0.4 OUTLIER -61.75 -39.3 91.11 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.997 -0.547 . . . . 22.870000000000001 110.425 179.721 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' C' C ' 63' ' ' SER . . . . . . . . . . . . . 67.2 m -62.83 -32.88 74.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.982 -0.553 . . . . 18.420000000000002 110.569 179.654 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -63.94 -43.16 96.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 26.07 110.625 179.75 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 65' ' ' LEU . . . . . . . . . . . . . 3.6 mt -59.87 -33.1 71.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 20.670000000000002 110.508 179.608 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 66' ' ' VAL . . . . . . . . . . . . . 49.1 t -74.32 -46.59 43.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.037 -0.528 . . . . 15.210000000000001 111.032 179.729 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 67' ' ' LYS . . . . . . . . . . . . . 10.6 tttm -61.69 -44.92 96.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 8.8200000000000003 110.699 179.793 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 68' ' ' LYS . . . . . . . . . . . . . 1.1 mtmm -62.67 -33.77 75.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 16.059999999999999 110.626 179.833 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 69' ' ' MET . . . . . . . . . . . . . 37.1 ttp -71.32 -38.65 71.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.021 -0.536 . . . . 10.5 110.677 179.845 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 52.9 t -71.83 -41.35 69.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.072 -0.513 . . . . 10.369999999999999 110.699 179.841 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 71' ' ' PHE . . . . . 0.437 ' O ' ' CB ' ' C' ' 75' ' ' LYS . 33.2 t80 -53.71 -60.79 2.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.49 -0.323 . . . . 19.399999999999999 110.537 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.41 -42.84 61.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.423 -0.353 . . . . 14.609999999999999 110.62 179.863 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 73' ' ' THR . . . . . . . . . . . . . 18.1 m -65.63 -71.81 0.18 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 9.2799999999999994 110.346 179.568 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 74' ' ' LEU . . . . . 0.467 ' HB3' ' CE2' ' C' ' 78' ' ' TYR . 14.3 mt -49.9 -35.26 23.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 14.31 111.025 -179.968 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 75' ' ' LYS . . . . . 0.437 ' CB ' ' O ' ' C' ' 71' ' ' PHE . 12.3 tttt -54.29 -71.44 0.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.223 -0.444 . . . . 16.329999999999998 110.085 179.355 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 76' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.32 -30.11 69.3 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.747 -0.66 . . . . 18.870000000000001 110.779 179.691 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 77' ' ' LEU . . . . . 0.421 ' HB3' ' HA ' ' C' ' 74' ' ' LEU . 0.7 OUTLIER -65.45 -66.44 0.55 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.371 -0.377 . . . . 21.510000000000002 110.64 179.955 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' C' C ' 78' ' ' TYR . . . . . 0.467 ' CE2' ' HB3' ' C' ' 74' ' ' LEU . 19.1 m-85 -54.1 -23.37 13.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.467 -0.333 . . . . 29.030000000000001 110.831 179.905 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 4.7 mmtp -74.7 -29.3 61.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.921 0.391 . . . . 26.34 110.597 179.765 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.1 -33.6 70.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.993 -0.548 . . . . 29.899999999999999 110.958 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -56.86 -50.41 72.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 34.560000000000002 110.819 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 82' ' ' THR . . . . . . . . . . . . . 4.3 p . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.204 -0.903 . . . . 38.780000000000001 110.976 179.91 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' D' D ' 52' ' ' ARG . . . . . . . . . . . . . 12.7 mmt180 . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.817 0.341 . . . . 42.450000000000003 111.247 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' D' D ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -118.22 24.51 10.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 37.259999999999998 110.984 -179.963 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.7 -25.61 68.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.299 -0.409 . . . . 32.240000000000002 110.864 179.86 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' D' D ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.39 -56.36 21.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 29.620000000000001 110.603 179.808 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.31 -39.04 91.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.018 -0.537 . . . . 34.289999999999999 110.316 179.595 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' D' D ' 57' ' ' ARG . . . . . . . . . . . . . 10.4 ttm180 -65.77 -33.74 76.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.098 -0.501 . . . . 26.23 110.148 179.389 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 58' ' ' LEU . . . . . 0.403 ' O ' ' HG2' ' D' ' 62' ' ' GLN . 11.5 mt -65.91 -58.96 4.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.822 -0.626 . . . . 22.129999999999999 110.729 179.805 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' D' D ' 59' ' ' ALA . . . . . . . . . . . . . . . -46.11 -37.76 7.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.877 -0.601 . . . . 22.039999999999999 110.948 179.817 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.55 -47.99 82.38 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.897 -0.592 . . . . 22.66 110.337 179.531 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' D' D ' 61' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -66.81 -31.99 72.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.076 -0.511 . . . . 15.58 110.333 179.546 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 62' ' ' GLN . . . . . 0.461 ' CB ' ' CD1' ' C' ' 74' ' ' LEU . 15.5 mm-40 -71.59 -44.42 64.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.112 -0.495 . . . . 11.34 110.479 179.464 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' D' D ' 63' ' ' SER . . . . . . . . . . . . . 1.3 m -62.19 -55.87 24.34 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.04 -0.527 . . . . 16.379999999999999 110.629 179.884 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 64' ' ' GLU . . . . . . . . . . . . . 20.4 pt-20 -51.14 -33.32 26.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.106 -0.497 . . . . 15.880000000000001 110.649 179.815 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 65' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -64.98 -42.46 94.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 10.84 110.587 179.678 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' D' D ' 66' ' ' VAL . . . . . . . . . . . . . 3.6 t -64.28 -37.91 81.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.208 -0.451 . . . . 9.4100000000000001 111.06 179.884 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 67' ' ' LYS . . . . . . . . . . . . . 25.3 ttmt -54.82 -61.94 1.98 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.037 -0.528 . . . . 9.9100000000000001 110.809 179.962 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 68' ' ' LYS . . . . . . . . . . . . . 1.3 tttm -50.9 -36.1 36.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 11.92 110.829 179.89 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 69' ' ' MET . . . . . . . . . . . . . 29.2 ttp -68.13 -49.34 61.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.005 -0.543 . . . . 11.539999999999999 111.01 -179.922 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 70' ' ' VAL . . . . . . . . . . . . . 61.5 t -74.86 -23.81 17.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.275 -0.42 . . . . 12.52 111.194 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 18.1 t80 -65.45 -35.53 81.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.924 0.393 . . . . 18.170000000000002 110.651 179.879 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -74.74 -45.08 46.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.11 -0.495 . . . . 25.010000000000002 110.751 179.821 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 73' ' ' THR . . . . . . . . . . . . . 57.2 m -58.04 -53.61 56.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.105 -0.498 . . . . 25.050000000000001 110.886 179.95 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 74' ' ' LEU . . . . . . . . . . . . . 54.6 mt -55.97 -40.72 73.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.291 -0.413 . . . . 26.399999999999999 110.792 -179.982 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.45 -47.49 48.22 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.258 -0.428 . . . . 28.420000000000002 110.703 179.822 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' D' D ' 76' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -71.77 -33.43 68.61 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.852 -0.613 . . . . 28.030000000000001 110.647 179.748 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 77' ' ' LEU . . . . . . . . . . . . . 16.2 mt -62.46 -49.58 74.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.027 -0.533 . . . . 29.260000000000002 110.812 179.837 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 78' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -75.9 -29.79 58.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.267 -0.424 . . . . 32.799999999999997 110.912 180.0 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 79' ' ' LYS . . . . . . . . . . . . . 17.6 tppt? -58.82 -27.67 65.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.127 -0.488 . . . . 45.020000000000003 110.888 179.972 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 80' ' ' LYS . . . . . . . . . . . . . 4.7 mttm -55.03 -83.73 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.187 -0.46 . . . . 41.060000000000002 110.888 179.987 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 81' ' ' THR . . . . . . . . . . . . . 7.6 t -73.1 76.56 1.24 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.27 -0.423 . . . . 40.619999999999997 110.944 179.971 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 82' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.126 0 CA-C-O 118.162 -0.923 . . . . 49.170000000000002 110.884 -179.966 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.487 1.422 0 CA-C-O 120.743 0.306 . . . . 46.240000000000002 111.214 . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -154.8 87.08 1.14 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.319 -0.4 . . . . 40.890000000000001 111.11 -179.951 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -55.96 -32.96 64.35 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.315 -0.402 . . . . 41.32 110.844 179.805 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.25 -45.93 91.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.318 -0.401 . . . . 35.590000000000003 110.734 179.803 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -63.98 -51.67 63.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 30.5 110.51 179.625 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 44.3 mtp180 -61.48 -44.42 97.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.01 -0.541 . . . . 38.689999999999998 110.265 179.558 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 10.7 mt -54.07 -51.41 64.2 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.813 -0.63 . . . . 31.280000000000001 110.451 179.675 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.69 -34.18 37.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 21.390000000000001 110.676 179.669 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.2 -29.55 66.42 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.079 -0.51 . . . . 17.91 110.504 179.659 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.67 -47.05 27.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.1 -0.5 . . . . 21.420000000000002 110.618 179.796 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 49.1 mm-40 -55.33 -49.72 71.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.956 -0.565 . . . . 22.68 110.608 179.735 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.2 m -59.24 -36.91 76.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.116 -0.493 . . . . 17.73 110.571 179.699 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -58.03 -28.88 64.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.043 -0.526 . . . . 25.280000000000001 110.539 179.783 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 10.8 mt -77.26 -32.56 55.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.09 -0.504 . . . . 21.809999999999999 110.239 179.493 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 43.3 t -78.6 -40.86 24.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.902 -0.59 . . . . 16.170000000000002 110.763 179.624 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 10.3 ptmt -61.75 -44.79 96.21 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.109 -0.496 . . . . 8.9399999999999995 110.486 179.846 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.429 ' HG3' ' N ' ' A' ' 69' ' ' MET . 2.7 pttp -62.26 -41.34 98.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.07 -0.514 . . . . 15.710000000000001 110.445 179.662 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.429 ' N ' ' HG3' ' A' ' 68' ' ' LYS . 27.7 ttp -62.81 -39.6 94.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.081 -0.509 . . . . 10.52 110.34 179.494 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 65.2 t -71.54 -42.23 72.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.899 -0.591 . . . . 10.279999999999999 110.553 179.569 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.426 ' O ' ' CB ' ' A' ' 75' ' ' LYS . 50.7 t80 -53.41 -60.1 3.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.314 -0.403 . . . . 19.120000000000001 110.305 179.681 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -51.83 -44.93 63.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.254 -0.43 . . . . 14.09 110.461 179.753 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 19.6 m -64.92 -70.56 0.22 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 9.0700000000000003 110.348 179.638 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.478 ' CD1' ' CB ' ' B' ' 62' ' ' GLN . 12.3 mt -49.31 -35.23 17.56 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.144 -0.48 . . . . 13.970000000000001 111.013 179.921 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.426 ' CB ' ' O ' ' A' ' 71' ' ' PHE . 5.5 tttp -54.53 -70.51 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.099 -0.501 . . . . 16.02 110.292 179.667 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -61.98 -25.17 67.47 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.799 -0.637 . . . . 18.559999999999999 110.95 179.87 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.411 ' HB3' ' HA ' ' A' ' 74' ' ' LEU . 0.8 OUTLIER -72.19 -44.28 63.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.397 -0.365 . . . . 21.43 110.978 -179.752 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.467 ' CE2' ' HB3' ' A' ' 74' ' ' LEU . 14.8 m-85 -72.65 -24.09 61.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.859 0.362 . . . . 28.800000000000001 110.77 179.703 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -74.91 -30.85 61.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 25.989999999999998 110.346 179.512 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 12.1 tttm -71.32 -33.26 69.5 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.943 -0.572 . . . . 29.699999999999999 110.796 179.807 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -55.54 -76.95 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 35.649999999999999 110.893 179.864 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 8.6 t . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.155 -0.926 . . . . 41.140000000000001 110.871 -179.919 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 8.1 mtt180 . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.814 0.34 . . . . 48.289999999999999 111.186 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 176.05 179.5 0.17 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 38.710000000000001 111.043 179.862 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.75 -21.69 62.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 32.850000000000001 111.179 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.48 -46.44 86.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.414 -0.357 . . . . 30.210000000000001 111.176 179.994 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.34 -55.76 14.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 33.299999999999997 110.98 -179.86 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 20.3 mmt180 -49.81 -31.91 12.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 27.199999999999999 111.054 -179.927 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 20.5 mt -69.75 -60.52 2.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 22.420000000000002 111.159 -179.973 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -44.33 -28.9 0.59 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.004 -0.544 . . . . 22.399999999999999 111.353 -179.854 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -73.96 -45.67 48.77 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.101 -0.499 . . . . 22.100000000000001 110.749 179.761 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -61.77 -33.5 74.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.264 -0.426 . . . . 14.369999999999999 110.766 179.833 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . 0.478 ' CB ' ' CD1' ' A' ' 74' ' ' LEU . 3.9 mm-40 -70.79 -50.1 39.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.193 -0.458 . . . . 11.51 110.747 179.833 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 1.3 m -51.54 -58.0 7.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.283 -0.417 . . . . 16.670000000000002 110.534 179.872 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -52.38 -33.48 43.51 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 116.106 -0.497 . . . . 16.140000000000001 110.554 179.709 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.66 -45.59 68.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.992 -0.549 . . . . 11.65 110.622 179.797 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 17.8 t -63.63 -33.88 64.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.154 -0.475 . . . . 9.1799999999999997 111.028 179.821 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.62 -56.04 24.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 10.32 110.815 179.914 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.94 -35.43 61.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.224 -0.443 . . . . 13.029999999999999 110.724 179.799 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 69' ' ' MET . . . . . . . . . . . . . 35.6 ttp -67.1 -50.71 60.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.114 -0.494 . . . . 11.51 110.867 179.979 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 51.4 t -74.27 -24.26 18.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.03 -0.532 . . . . 11.74 111.213 -179.891 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -60.74 -45.78 92.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.266 -0.424 . . . . 17.940000000000001 110.698 179.723 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -69.23 -40.86 77.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 25.190000000000001 110.59 179.813 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 73' ' ' THR . . . . . . . . . . . . . 52.9 m -57.06 -45.92 82.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.453 . . . . 24.890000000000001 110.661 179.782 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 68.7 mt -64.46 -37.73 88.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.487 . . . . 26.699999999999999 110.827 179.83 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 2.2 ttpt -51.69 -41.69 61.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 27.190000000000001 110.52 179.806 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -77.01 -35.12 57.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.998 -0.546 . . . . 27.91 110.491 179.568 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . 0.413 HD12 ' CD1' ' C' ' 78' ' ' TYR . 13.7 mt -58.88 -49.91 75.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.993 -0.549 . . . . 28.969999999999999 110.744 179.664 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -76.23 -42.04 47.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.048 -0.524 . . . . 33.310000000000002 110.9 179.908 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 8.9 tttp -57.3 -38.61 74.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.494 . . . . 46.68 110.963 -179.964 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 45.2 tttp -54.02 -68.77 0.15 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.287 -0.415 . . . . 41.539999999999999 110.735 179.885 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 5.7 t -74.62 76.5 2.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 40.960000000000001 110.877 179.956 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 14.3 t . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.18 -0.914 . . . . 50.329999999999998 110.879 -179.962 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' C' C ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.819 0.343 . . . . 47.020000000000003 111.183 . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 53' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -155.09 87.51 1.13 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 36.0 111.008 179.976 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -56.41 -32.88 65.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 36.670000000000002 110.774 179.918 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.16 -45.83 91.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.319 -0.401 . . . . 31.079999999999998 110.732 179.719 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -64.23 -51.53 63.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.092 -0.504 . . . . 27.539999999999999 110.589 179.691 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 57' ' ' ARG . . . . . . . . . . . . . 43.7 mtp180 -61.61 -44.39 97.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.995 -0.548 . . . . 26.969999999999999 110.275 179.517 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 10.7 mt -53.88 -51.48 63.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.766 -0.652 . . . . 27.079999999999998 110.535 179.633 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.68 -34.26 37.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.093 -0.503 . . . . 24.600000000000001 110.683 179.785 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.92 -29.98 67.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.053 -0.521 . . . . 26.82 110.578 179.657 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.27 -47.18 29.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.999 -0.546 . . . . 26.739999999999998 110.586 179.792 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 49.4 mm-40 -55.11 -50.01 70.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.95 -0.568 . . . . 21.23 110.533 179.734 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 63' ' ' SER . . . . . 0.411 ' CB ' ' HG2' ' D' ' 67' ' ' LYS . 1.2 m -59.02 -36.92 75.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.113 -0.494 . . . . 16.190000000000001 110.679 179.666 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -58.05 -28.8 64.85 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.058 -0.519 . . . . 18.960000000000001 110.56 179.746 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 65' ' ' LEU . . . . . . . . . . . . . 11.0 mt -77.31 -32.63 55.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.032 -0.531 . . . . 16.07 110.191 179.559 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 66' ' ' VAL . . . . . . . . . . . . . 43.4 t -78.59 -40.9 24.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.891 -0.595 . . . . 11.52 110.788 179.605 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 67' ' ' LYS . . . . . . . . . . . . . 10.2 ptmt -61.56 -44.77 96.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 21.140000000000001 110.59 179.719 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 68' ' ' LYS . . . . . 0.422 ' HG3' ' N ' ' C' ' 69' ' ' MET . 2.7 pttp -62.38 -41.37 98.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.107 -0.497 . . . . 19.460000000000001 110.45 179.581 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' C' C ' 69' ' ' MET . . . . . 0.422 ' N ' ' HG3' ' C' ' 68' ' ' LYS . 28.2 ttp -62.74 -39.63 94.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.061 -0.518 . . . . 8.2599999999999998 110.248 179.542 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 68.4 t -71.58 -42.35 71.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.962 -0.563 . . . . 5.54 110.528 179.625 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 71' ' ' PHE . . . . . 0.423 ' O ' ' CB ' ' C' ' 75' ' ' LYS . 50.9 t80 -53.23 -60.38 3.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.301 -0.409 . . . . 14.24 110.284 179.682 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -51.57 -44.91 62.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 8.6899999999999995 110.5 179.764 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 73' ' ' THR . . . . . . . . . . . . . 19.5 m -64.98 -70.64 0.22 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.11 -0.496 . . . . 13.76 110.369 179.63 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 74' ' ' LEU . . . . . 0.482 ' CD1' ' CB ' ' D' ' 62' ' ' GLN . 12.1 mt -49.38 -35.04 17.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 19.649999999999999 110.991 179.938 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' C' C ' 75' ' ' LYS . . . . . 0.423 ' CB ' ' O ' ' C' ' 71' ' ' PHE . 5.4 tttp -54.54 -70.56 0.1 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.171 -0.468 . . . . 22.43 110.275 179.586 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' C' C ' 76' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -61.86 -25.52 67.58 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.752 -0.658 . . . . 14.699999999999999 111.004 179.853 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 77' ' ' LEU . . . . . 0.402 ' HB3' ' HA ' ' C' ' 74' ' ' LEU . 0.8 OUTLIER -71.75 -44.33 64.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.366 -0.379 . . . . 20.039999999999999 110.951 -179.787 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' C' C ' 78' ' ' TYR . . . . . 0.468 ' CE2' ' HB3' ' C' ' 74' ' ' LEU . 14.7 m-85 -72.69 -24.26 60.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.422 -0.354 . . . . 25.309999999999999 110.611 179.843 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -74.79 -30.74 61.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.284 -0.416 . . . . 29.18 110.411 179.541 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 11.9 tttm -71.38 -33.27 69.37 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.918 -0.583 . . . . 29.02 110.842 179.746 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -55.64 -76.81 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.102 -0.499 . . . . 33.460000000000001 110.92 179.948 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' C' C ' 82' ' ' THR . . . . . . . . . . . . . 8.5 t . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.181 -0.914 . . . . 40.25 110.88 -179.98 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' D' D ' 52' ' ' ARG . . . . . . . . . . . . . 8.3 mtt180 . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.813 0.339 . . . . 46.899999999999999 111.136 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' D' D ' 53' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 176.01 179.43 0.17 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.298 -0.41 . . . . 41.380000000000003 111.004 179.932 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.81 -21.61 62.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.473 . . . . 35.210000000000001 111.141 179.978 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' D' D ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.56 -46.41 86.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.421 -0.354 . . . . 35.82 111.131 -179.942 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.28 -55.76 14.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.431 . . . . 31.989999999999998 110.983 -179.923 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' D' D ' 57' ' ' ARG . . . . . . . . . . . . . 20.3 mmt180 -49.7 -32.33 13.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 31.07 110.989 -179.842 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 58' ' ' LEU . . . . . . . . . . . . . 20.1 mt -69.49 -61.13 1.91 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 20.66 111.083 -179.857 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 59' ' ' ALA . . . . . . . . . . . . . . . -43.58 -29.27 0.46 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.901 -0.591 . . . . 18.309999999999999 111.33 -179.96 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 60' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -73.83 -45.84 48.77 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.039 -0.528 . . . . 23.149999999999999 110.808 179.769 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 61' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -61.51 -33.69 74.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 16.190000000000001 110.795 179.836 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 62' ' ' GLN . . . . . 0.482 ' CB ' ' CD1' ' C' ' 74' ' ' LEU . 3.8 mm-40 -70.65 -50.4 37.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.485 . . . . 16.149999999999999 110.739 179.846 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' D' D ' 63' ' ' SER . . . . . . . . . . . . . 1.2 m -51.09 -57.96 7.32 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.347 -0.388 . . . . 15.17 110.602 179.854 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 64' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -52.4 -33.39 43.35 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 116.043 -0.526 . . . . 12.380000000000001 110.58 179.604 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.58 -45.67 68.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.995 -0.548 . . . . 6.6900000000000004 110.678 179.687 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' D' D ' 66' ' ' VAL . . . . . . . . . . . . . 17.4 t -63.53 -34.01 64.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.056 -0.52 . . . . 8.3100000000000005 111.062 179.828 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 67' ' ' LYS . . . . . 0.411 ' HG2' ' CB ' ' C' ' 63' ' ' SER . 0.0 OUTLIER -61.51 -56.15 23.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 19.670000000000002 110.779 179.903 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' D' D ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.96 -35.38 61.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 19.02 110.802 179.906 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' D' D ' 69' ' ' MET . . . . . 0.42 ' CE ' ' HB3' ' B' ' 62' ' ' GLN . 36.4 ttp -67.22 -50.52 60.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.111 -0.495 . . . . 12.789999999999999 110.884 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' D' D ' 70' ' ' VAL . . . . . 0.402 HG22 HD23 ' A' ' 74' ' ' LEU . 52.1 t -74.27 -24.37 18.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.055 -0.521 . . . . 15.42 111.17 -179.905 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 31.2 t80 -60.79 -45.8 92.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 25.73 110.642 179.811 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -69.11 -40.9 78.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 28.210000000000001 110.561 179.775 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 73' ' ' THR . . . . . . . . . . . . . 51.8 m -56.96 -45.94 82.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 20.48 110.768 179.759 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 74' ' ' LEU . . . . . . . . . . . . . 67.6 mt -64.51 -37.71 88.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 22.27 110.754 179.897 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 75' ' ' LYS . . . . . . . . . . . . . 2.1 ttpt -51.56 -41.92 61.47 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.2 -0.455 . . . . 29.18 110.462 179.781 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 76' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -76.93 -35.02 57.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.967 -0.561 . . . . 31.289999999999999 110.495 179.675 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 77' ' ' LEU . . . . . 0.448 HD12 ' CD1' ' A' ' 78' ' ' TYR . 13.6 mt -59.05 -49.83 76.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.009 -0.542 . . . . 30.670000000000002 110.758 179.667 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' D' D ' 78' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -76.17 -42.05 47.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.103 -0.499 . . . . 33.689999999999998 110.896 179.907 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 79' ' ' LYS . . . . . . . . . . . . . 8.8 tttp -57.32 -38.45 74.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.084 -0.507 . . . . 40.75 110.94 -179.909 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 80' ' ' LYS . . . . . . . . . . . . . 45.2 tttp -54.34 -68.18 0.2 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.356 -0.384 . . . . 43.170000000000002 110.823 -179.981 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 81' ' ' THR . . . . . . . . . . . . . 5.6 t -75.08 76.56 2.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 42.469999999999999 110.798 179.903 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 82' ' ' THR . . . . . . . . . . . . . 14.4 t . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.21 -0.9 . . . . 50.600000000000001 110.914 -179.844 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 . . . . . 0 N--CA 1.487 1.402 0 CA-C-O 120.719 0.295 . . . . 48.57 111.147 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 68.79 75.53 0.25 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 38.140000000000001 111.053 -179.982 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -54.87 -31.82 60.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 40.299999999999997 110.68 179.85 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.66 -40.42 96.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 31.829999999999998 110.723 179.734 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.07 -50.83 52.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.095 -0.502 . . . . 28.300000000000001 110.495 179.585 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 2.4 mmt180 -63.43 -44.42 94.63 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.975 -0.557 . . . . 28.84 110.316 179.528 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 11.6 mt -53.8 -50.72 65.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.872 -0.604 . . . . 31.329999999999998 110.433 179.486 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.52 -38.06 52.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.046 -0.525 . . . . 25.84 110.85 179.771 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.66 -26.39 37.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.021 -0.536 . . . . 24.969999999999999 110.66 179.852 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -73.24 -51.3 18.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 26.600000000000001 110.696 179.874 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.424 ' HB2' ' CD1' ' B' ' 74' ' ' LEU . 55.5 mm-40 -61.39 -36.05 79.2 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.019 -0.537 . . . . 19.370000000000001 110.754 179.8 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 24.8 p -65.04 -36.83 85.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 16.329999999999998 110.64 179.794 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -56.39 -55.53 32.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.431 . . . . 19.84 110.646 179.824 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.9 mt -51.08 -38.0 49.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 19.940000000000001 110.578 179.719 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 64.8 t -69.96 -50.6 47.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.049 -0.523 . . . . 11.16 110.925 179.83 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 24.0 tttm -57.65 -41.43 81.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.121 -0.491 . . . . 17.190000000000001 110.823 179.9 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 15.6 ttpt -60.44 -38.27 83.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 23.579999999999998 110.608 179.753 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 36.1 ttp -64.42 -44.62 90.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 10.359999999999999 110.556 179.632 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 92.9 t -66.89 -43.57 89.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.143 -0.48 . . . . 7.2999999999999998 110.994 179.93 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.421 ' O ' ' CB ' ' A' ' 75' ' ' LYS . 21.1 t80 -53.41 -60.62 3.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.812 0.339 . . . . 20.469999999999999 110.591 179.972 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -53.14 -42.39 66.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.384 -0.371 . . . . 11.529999999999999 110.556 179.82 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 20.7 m -66.96 -69.52 0.3 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.435 . . . . 10.630000000000001 110.277 179.635 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.451 ' CD1' ' HB3' ' B' ' 62' ' ' GLN . 13.5 mt -50.67 -37.11 39.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.048 -0.524 . . . . 18.690000000000001 111.185 179.936 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.421 ' CB ' ' O ' ' A' ' 71' ' ' PHE . 3.9 tttp -52.98 -71.06 0.07 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.105 0.479 . . . . 22.010000000000002 110.05 179.405 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -61.28 -32.28 72.12 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.582 -0.736 . . . . 17.800000000000001 110.934 179.83 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.422 ' HB3' ' HA ' ' A' ' 74' ' ' LEU . 0.7 OUTLIER -61.94 -58.78 6.61 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.435 -0.348 . . . . 20.210000000000001 110.722 -179.937 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.48 ' CE1' HG23 ' D' ' 73' ' ' THR . 21.0 m-85 -62.4 -23.61 66.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.321 -0.4 . . . . 27.16 110.905 179.799 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.67 -33.13 62.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.318 -0.401 . . . . 27.620000000000001 110.609 179.772 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 8.7 tmtt? -69.39 -34.79 75.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.099 -0.501 . . . . 31.149999999999999 110.81 179.868 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -56.48 -80.09 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.132 -0.486 . . . . 34.060000000000002 110.935 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.7 t . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.174 -0.917 . . . . 42.450000000000003 110.982 179.999 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.398 0 CA-C-O 120.86 0.362 . . . . 47.039999999999999 111.137 . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 53' ' ' ASN . . . . . 0.417 ' ND2' ' HB2' ' B' ' 55' ' ' ALA . 1.2 p-10 -161.29 176.48 11.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.097 -0.501 . . . . 38.890000000000001 110.777 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -50.77 -41.29 56.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 32.729999999999997 110.934 179.977 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 55' ' ' ALA . . . . . 0.417 ' HB2' ' ND2' ' B' ' 53' ' ' ASN . . . -51.7 -42.42 62.2 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.157 -0.474 . . . . 32.530000000000001 110.764 179.77 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 9.5 tm-20 -72.41 -35.55 68.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.072 -0.513 . . . . 30.420000000000002 110.674 179.704 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 3.7 mpt_? -65.73 -36.61 84.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 22.370000000000001 110.687 179.791 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . 0.478 ' CD1' ' CG2' ' D' ' 73' ' ' THR . 78.0 mt -67.4 -51.59 50.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.015 -0.539 . . . . 18.59 110.647 179.872 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 59' ' ' ALA . . . . . 0.409 ' O ' ' CB ' ' B' ' 63' ' ' SER . . . -49.98 -37.45 32.45 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.972 -0.558 . . . . 18.68 110.983 179.799 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 33.2 t0 -70.86 -50.69 32.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 22.93 110.926 179.845 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -62.36 -38.29 88.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 16.149999999999999 110.683 179.699 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . 0.451 ' HB3' ' CD1' ' A' ' 74' ' ' LEU . 0.2 OUTLIER -76.44 -41.93 45.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.034 -0.53 . . . . 14.98 110.818 179.812 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' B' B ' 63' ' ' SER . . . . . 0.409 ' CB ' ' O ' ' B' ' 59' ' ' ALA . 79.5 p -66.17 -54.61 23.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.297 -0.41 . . . . 14.390000000000001 110.531 179.791 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -51.24 -38.26 51.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.137 -0.483 . . . . 8.5399999999999991 110.698 179.735 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.77 -42.9 94.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.019 -0.537 . . . . 7.2699999999999996 110.68 179.79 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 59.1 t -58.53 -36.05 57.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 7.1500000000000004 110.908 179.859 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 7.1 ttpt -69.26 -31.78 70.55 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.129 -0.487 . . . . 15.869999999999999 110.643 179.842 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 12.9 tttt -74.56 -38.74 62.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.079 -0.51 . . . . 19.5 110.794 179.948 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 69' ' ' MET . . . . . . . . . . . . . 20.8 ptt? -74.42 -36.01 63.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.327 -0.397 . . . . 12.91 110.739 179.951 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 58.3 t -80.14 -31.79 13.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.082 -0.508 . . . . 16.02 111.174 -179.996 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -58.85 -53.0 63.34 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.324 -0.398 . . . . 25.989999999999998 110.589 179.707 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.36 -44.69 96.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 28.539999999999999 110.68 179.769 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 73' ' ' THR . . . . . 0.469 ' CG2' ' CD1' ' D' ' 58' ' ' LEU . 63.5 m -56.47 -62.14 1.93 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.111 -0.495 . . . . 22.920000000000002 110.82 179.764 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 74' ' ' LEU . . . . . 0.424 ' CD1' ' HB2' ' A' ' 62' ' ' GLN . 49.4 mt -50.57 -39.29 49.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 20.989999999999998 110.96 -179.924 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 2.1 ttpt -49.89 -49.11 50.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.939 0.4 . . . . 25.809999999999999 110.61 179.919 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -70.55 -37.54 74.05 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.921 -0.582 . . . . 30.260000000000002 110.694 179.716 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 9.7 mt -56.2 -50.03 72.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.049 -0.523 . . . . 30.32 110.967 179.845 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 39.3 m-85 -71.16 -43.84 66.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 31.82 110.98 -179.946 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.3 -37.58 24.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.46 . . . . 42.460000000000001 110.949 -179.936 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 11.6 tptt -60.81 -21.45 63.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 40.57 111.07 179.983 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 9.9 t -169.41 118.05 0.64 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.418 -0.355 . . . . 40.469999999999999 110.837 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 1.6 t . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.244 -0.884 . . . . 45.539999999999999 110.938 179.923 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' C' C ' 52' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 . . . . . 0 N--CA 1.485 1.302 0 CA-C-O 120.778 0.323 . . . . 46.189999999999998 111.196 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' C' C ' 53' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 69.04 75.38 0.24 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 42.799999999999997 111.01 179.861 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -54.74 -31.77 58.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.271 -0.422 . . . . 38.960000000000001 110.725 179.872 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.81 -40.19 96.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.449 . . . . 35.700000000000003 110.724 179.78 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.36 -50.73 51.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.083 -0.508 . . . . 31.199999999999999 110.43 179.624 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' C' C ' 57' ' ' ARG . . . . . . . . . . . . . 2.4 mmt180 -63.5 -44.34 94.61 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.038 -0.528 . . . . 37.600000000000001 110.245 179.577 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 11.4 mt -53.89 -50.77 65.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.831 -0.622 . . . . 26.579999999999998 110.456 179.551 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.62 -37.91 52.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.966 -0.561 . . . . 20.25 110.809 179.724 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.59 -26.59 37.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.036 -0.529 . . . . 21.48 110.704 179.775 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -73.07 -51.22 18.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.06 -0.518 . . . . 22.789999999999999 110.731 179.885 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 56.0 mm-40 -61.53 -35.96 79.22 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.952 -0.567 . . . . 25.940000000000001 110.738 179.865 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 63' ' ' SER . . . . . . . . . . . . . 24.7 p -65.16 -36.94 85.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 18.260000000000002 110.67 179.856 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -56.21 -55.43 33.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 26.199999999999999 110.653 179.79 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 65' ' ' LEU . . . . . . . . . . . . . 1.9 mt -51.3 -37.97 50.37 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.14 -0.482 . . . . 19.07 110.573 179.75 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 66' ' ' VAL . . . . . . . . . . . . . 64.2 t -69.86 -50.73 46.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.017 -0.538 . . . . 16.670000000000002 110.912 179.768 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 67' ' ' LYS . . . . . . . . . . . . . 24.0 tttm -57.5 -41.44 80.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.047 -0.524 . . . . 13.789999999999999 110.853 179.826 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 68' ' ' LYS . . . . . . . . . . . . . 15.6 ttpt -60.39 -38.31 83.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.438 . . . . 14.27 110.62 179.78 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 69' ' ' MET . . . . . . . . . . . . . 36.1 ttp -64.46 -44.73 90.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.071 -0.513 . . . . 8.7799999999999994 110.561 179.688 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 70' ' ' VAL . . . . . 0.416 ' CG1' ' HG ' ' C' ' 74' ' ' LEU . 94.0 t -66.71 -43.58 90.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 10.970000000000001 111.032 179.821 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' C' C ' 71' ' ' PHE . . . . . 0.429 ' O ' ' CB ' ' C' ' 75' ' ' LYS . 21.1 t80 -53.44 -60.56 3.14 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.956 -0.297 . . . . 11.32 110.608 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -53.21 -42.1 65.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.33 -0.396 . . . . 11.369999999999999 110.564 179.884 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 73' ' ' THR . . . . . . . . . . . . . 20.7 m -67.3 -69.45 0.31 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 12.859999999999999 110.285 179.653 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 74' ' ' LEU . . . . . 0.44 ' HB3' ' CE2' ' C' ' 78' ' ' TYR . 13.3 mt -50.7 -36.96 38.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.059 -0.519 . . . . 15.9 111.127 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' C' C ' 75' ' ' LYS . . . . . 0.429 ' CB ' ' O ' ' C' ' 71' ' ' PHE . 3.9 tttp -53.12 -71.24 0.07 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.084 0.469 . . . . 13.779999999999999 110.011 179.298 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' C' C ' 76' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -61.24 -32.04 71.83 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.643 -0.708 . . . . 16.710000000000001 110.951 179.807 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 77' ' ' LEU . . . . . 0.416 ' HB3' ' HA ' ' C' ' 74' ' ' LEU . 0.8 OUTLIER -62.08 -58.7 6.83 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.501 -0.318 . . . . 21.149999999999999 110.815 179.961 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' C' C ' 78' ' ' TYR . . . . . 0.453 ' CE1' HG23 ' B' ' 73' ' ' THR . 20.9 m-85 -62.47 -23.64 67.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 25.48 110.901 179.822 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.68 -33.04 62.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.358 -0.383 . . . . 28.859999999999999 110.612 179.789 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 8.8 tmtt? -69.47 -34.81 74.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.085 -0.507 . . . . 27.16 110.772 179.877 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -56.54 -80.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 34.0 110.887 -179.97 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' C' C ' 82' ' ' THR . . . . . . . . . . . . . 11.9 t . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.214 -0.898 . . . . 39.409999999999997 110.886 179.956 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' D' D ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.845 0.355 . . . . 46.950000000000003 111.193 . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 53' ' ' ASN . . . . . 0.415 ' ND2' ' HB2' ' D' ' 55' ' ' ALA . 1.2 p-10 -161.34 176.33 11.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.09 -0.505 . . . . 39.420000000000002 110.856 179.89 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -50.67 -41.07 55.16 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.234 -0.439 . . . . 34.109999999999999 110.922 -179.955 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 55' ' ' ALA . . . . . 0.415 ' HB2' ' ND2' ' D' ' 53' ' ' ASN . . . -51.87 -42.37 62.6 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.156 -0.474 . . . . 31.710000000000001 110.749 179.848 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 9.5 tm-20 -72.49 -35.57 68.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.038 -0.528 . . . . 31.390000000000001 110.668 179.743 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 57' ' ' ARG . . . . . . . . . . . . . 3.7 mpt_? -65.73 -36.34 83.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.074 -0.512 . . . . 30.93 110.73 179.761 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 58' ' ' LEU . . . . . 0.469 ' CD1' ' CG2' ' B' ' 73' ' ' THR . 77.2 mt -67.72 -51.21 52.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.057 -0.52 . . . . 22.84 110.657 179.815 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' D' D ' 59' ' ' ALA . . . . . 0.409 ' O ' ' CB ' ' D' ' 63' ' ' SER . . . -50.34 -37.53 37.33 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.013 -0.539 . . . . 20.32 110.866 179.928 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' D' D ' 60' ' ' ASP . . . . . . . . . . . . . 31.0 t0 -70.88 -50.15 38.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.09 -0.505 . . . . 16.210000000000001 110.876 179.986 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 61' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -62.92 -38.3 90.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.882 0.372 . . . . 11.9 110.614 179.701 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 62' ' ' GLN . . . . . 0.429 ' HB3' ' CD1' ' C' ' 74' ' ' LEU . 0.3 OUTLIER -76.11 -42.11 48.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.028 -0.533 . . . . 11.279999999999999 110.741 179.806 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' D' D ' 63' ' ' SER . . . . . 0.409 ' CB ' ' O ' ' D' ' 59' ' ' ALA . 80.2 p -66.17 -55.0 18.49 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.228 -0.442 . . . . 16.59 110.597 179.775 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' D' D ' 64' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -50.85 -38.3 48.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.099 -0.5 . . . . 16.84 110.733 179.732 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 65' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.79 -42.93 94.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.04 -0.527 . . . . 10.42 110.745 179.782 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' D' D ' 66' ' ' VAL . . . . . 0.401 ' HA ' ' HG2' ' D' ' 69' ' ' MET . 58.5 t -58.57 -35.74 56.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.059 -0.518 . . . . 10.85 111.021 179.791 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' D' D ' 67' ' ' LYS . . . . . . . . . . . . . 7.1 ttpt -69.53 -31.86 70.33 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.085 -0.507 . . . . 17.23 110.65 179.797 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 68' ' ' LYS . . . . . . . . . . . . . 13.0 tttt -74.37 -38.85 63.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.047 -0.524 . . . . 11.48 110.785 179.871 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 69' ' ' MET . . . . . 0.401 ' HG2' ' HA ' ' D' ' 66' ' ' VAL . 20.8 ptt? -74.36 -36.07 63.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.328 -0.397 . . . . 10.890000000000001 110.771 179.962 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' D' D ' 70' ' ' VAL . . . . . . . . . . . . . 59.0 t -80.02 -31.83 13.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.477 . . . . 11.550000000000001 111.111 179.947 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -58.84 -53.3 59.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.341 -0.391 . . . . 18.530000000000001 110.61 179.763 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.86 -45.0 96.25 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.234 -0.439 . . . . 24.0 110.723 179.641 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' D' D ' 73' ' ' THR . . . . . 0.48 HG23 ' CE1' ' A' ' 78' ' ' TYR . 63.1 m -56.16 -62.28 1.82 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.084 -0.507 . . . . 22.710000000000001 110.876 179.724 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' D' D ' 74' ' ' LEU . . . . . . . . . . . . . 49.0 mt -50.55 -39.31 48.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 26.960000000000001 110.989 -179.91 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 75' ' ' LYS . . . . . . . . . . . . . 2.0 ttpt -49.87 -48.9 51.06 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.26 -0.427 . . . . 30.59 110.761 179.899 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 76' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -70.71 -37.44 73.55 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.916 -0.584 . . . . 29.280000000000001 110.718 179.712 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 77' ' ' LEU . . . . . . . . . . . . . 9.8 mt -56.29 -50.17 72.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.072 -0.513 . . . . 28.68 110.934 179.745 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 78' ' ' TYR . . . . . . . . . . . . . 39.0 m-85 -70.91 -43.97 67.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 34.369999999999997 111.0 -179.921 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.38 -37.56 25.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 43.780000000000001 110.967 -179.908 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' D' D ' 80' ' ' LYS . . . . . . . . . . . . . 11.5 tptt -60.88 -21.36 63.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.272 -0.422 . . . . 43.549999999999997 111.014 179.958 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 81' ' ' THR . . . . . . . . . . . . . 9.8 t -169.42 118.04 0.64 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.446 -0.343 . . . . 40.710000000000001 110.875 179.967 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 82' ' ' THR . . . . . . . . . . . . . 1.6 t . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.264 -0.874 . . . . 48.159999999999997 110.926 179.944 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 29.1 ttm-85 . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.835 0.35 . . . . 47.090000000000003 111.175 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -165.6 102.65 0.7 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.206 -0.452 . . . . 37.990000000000002 110.95 179.904 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -63.8 -30.78 71.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 36.740000000000002 110.79 179.882 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.403 ' CB ' ' HB3' ' B' ' 78' ' ' TYR . . . -62.32 -35.55 79.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 32.049999999999997 110.442 179.594 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -71.13 -54.86 9.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.017 -0.538 . . . . 28.870000000000001 110.212 179.34 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 1.7 mtp85 -60.81 -40.43 92.68 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.791 -0.641 . . . . 29.489999999999998 110.216 179.412 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 14.6 mt -61.7 -52.83 62.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.853 -0.612 . . . . 26.48 110.744 179.661 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -49.13 -30.18 6.32 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.101 -0.5 . . . . 24.039999999999999 111.082 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -81.41 -28.72 34.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.428 . . . . 27.32 110.701 179.821 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -78.15 -47.66 17.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 28.43 110.674 179.846 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 50.8 mm-40 -59.37 -45.46 91.37 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.883 -0.599 . . . . 22.98 110.762 179.915 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 82.1 p -62.31 -35.78 80.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 16.609999999999999 110.763 179.757 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -58.27 -38.69 77.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 20.34 110.785 179.767 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.8 mt -63.73 -45.01 91.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 15.529999999999999 110.724 179.821 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 41.8 t -64.32 -40.6 89.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.071 -0.513 . . . . 12.19 111.012 179.906 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 35.1 tttt -59.67 -51.18 70.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 21.120000000000001 110.715 179.86 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.0 ttmt -55.66 -38.24 69.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 19.510000000000002 110.523 179.751 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 47.4 ttp -63.1 -39.62 95.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.096 -0.502 . . . . 7.3899999999999997 110.585 179.706 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 24.6 t -72.96 -45.65 54.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 6.1100000000000003 110.631 179.799 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.413 ' O ' ' HB2' ' A' ' 75' ' ' LYS . 22.0 t80 -51.49 -72.97 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.941 -0.392 . . . . 10.390000000000001 109.941 179.429 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -44.52 -34.51 2.13 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.257 -0.428 . . . . 8.6999999999999993 110.947 179.482 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.0 m -68.12 -73.53 0.14 Allowed 'General case' 0 N--CA 1.454 -0.246 0 CA-C-O 120.963 0.411 . . . . 14.359999999999999 110.179 179.501 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.441 ' CD1' ' HB2' ' B' ' 62' ' ' GLN . 21.1 mt -51.04 -32.05 20.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.997 -0.547 . . . . 19.510000000000002 111.103 179.863 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.413 ' HB2' ' O ' ' A' ' 71' ' ' PHE . 2.2 ttmt -54.67 -62.07 1.9 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.317 -0.401 . . . . 19.760000000000002 110.517 179.711 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.15 -32.67 72.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.072 -0.513 . . . . 14.42 110.766 179.801 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.72 -65.55 0.67 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.109 -0.496 . . . . 20.550000000000001 110.461 179.889 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.415 ' OH ' ' CG1' ' D' ' 70' ' ' VAL . 21.1 m-30 -54.81 -26.34 34.21 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.871 0.367 . . . . 24.559999999999999 110.686 179.647 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 3.5 mttt -66.81 -40.97 88.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.091 -0.504 . . . . 30.57 110.929 179.978 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 5.0 ttpt -68.19 -33.73 74.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.224 -0.444 . . . . 28.41 110.833 -179.985 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -58.49 -47.29 84.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 33.57 110.893 179.92 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.0 p . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.234 -0.888 . . . . 41.130000000000003 110.886 -179.921 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 16.1 mmt180 . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.814 0.34 . . . . 45.259999999999998 111.21 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -95.11 24.11 5.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.101 -0.5 . . . . 41.259999999999998 110.893 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -64.41 -24.92 67.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.318 -0.401 . . . . 35.07 111.001 -179.975 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.75 -48.19 82.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 35.109999999999999 111.114 -179.874 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -63.28 -44.26 95.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.258 -0.428 . . . . 31.390000000000001 110.802 -179.987 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 65.8 mtt-85 -62.12 -37.06 83.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.425 . . . . 31.739999999999998 110.801 179.944 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 36.2 mt -62.79 -53.72 50.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.005 -0.543 . . . . 21.039999999999999 110.749 179.911 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -50.78 -40.32 54.88 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.896 -0.593 . . . . 17.870000000000001 111.045 -179.962 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 60' ' ' ASP . . . . . 0.401 ' HA ' ' OG ' ' B' ' 63' ' ' SER . 22.7 t0 -66.04 -34.56 78.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 21.390000000000001 110.642 179.953 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.75 -42.63 85.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 14.99 110.448 179.615 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . 0.441 ' HB2' ' CD1' ' A' ' 74' ' ' LEU . 2.5 mm-40 -71.92 -48.36 46.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.943 -0.571 . . . . 15.91 111.262 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 63' ' ' SER . . . . . 0.401 ' OG ' ' HA ' ' B' ' 60' ' ' ASP . 1.8 p -51.76 -52.26 50.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.442 -0.345 . . . . 15.9 111.634 -179.343 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -57.21 -58.51 7.91 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.488 -0.324 . . . . 15.02 111.773 -179.169 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . 0.427 HD13 ' N ' ' B' ' 66' ' ' VAL . 1.6 pp -52.22 -32.84 38.48 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.869 -0.332 . . . . 6.8600000000000003 110.821 -179.624 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . 0.439 ' CG2' ' O ' ' B' ' 62' ' ' GLN . 92.9 t -61.13 -52.3 63.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.865 0.364 . . . . 10.199999999999999 111.029 179.805 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 7.8 ttmt -52.45 -35.76 53.14 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.206 -0.452 . . . . 21.199999999999999 110.886 -179.79 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.53 -38.43 87.14 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.25 -0.432 . . . . 18.870000000000001 111.493 -179.702 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 69' ' ' MET . . . . . 0.433 ' HG2' ' N ' ' B' ' 70' ' ' VAL . 2.5 ptt? -68.38 -39.07 81.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.938 0.399 . . . . 12.26 111.069 -179.668 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . 0.433 ' N ' ' HG2' ' B' ' 69' ' ' MET . 61.6 t -87.07 -25.13 6.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.109 -0.496 . . . . 14.94 111.547 -179.466 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -65.18 -36.89 85.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.812 0.339 . . . . 24.370000000000001 110.448 179.712 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -78.42 -44.2 25.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 27.399999999999999 110.534 179.586 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 73' ' ' THR . . . . . . . . . . . . . 53.5 m -57.91 -43.09 85.97 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.231 -0.441 . . . . 20.210000000000001 110.675 179.738 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 50.8 mt -64.45 -42.86 95.71 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.185 -0.462 . . . . 22.93 110.87 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -50.17 -40.61 47.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.446 . . . . 29.760000000000002 110.673 179.869 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -80.02 -31.17 39.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.938 -0.574 . . . . 31.120000000000001 110.68 179.759 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 23.9 mt -61.0 -38.06 84.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.014 -0.539 . . . . 29.809999999999999 110.839 179.901 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 78' ' ' TYR . . . . . 0.403 ' HB3' ' CB ' ' A' ' 55' ' ' ALA . 4.2 m-85 -84.65 -36.82 21.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 33.82 110.774 179.928 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 2.4 mmmt -63.56 -22.27 66.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.095 -0.502 . . . . 39.789999999999999 111.137 -179.984 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.9 -23.37 60.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.366 -0.379 . . . . 42.780000000000001 111.239 -179.821 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 8.6 t -126.34 61.49 1.29 Allowed 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 116.286 -0.415 . . . . 42.350000000000001 110.881 179.975 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 4.5 t . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.212 -0.899 . . . . 50.409999999999997 110.857 179.994 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' C' C ' 52' ' ' ARG . . . . . . . . . . . . . 29.1 ttm-85 . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.818 0.342 . . . . 46.770000000000003 111.127 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' C' C ' 53' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -165.71 102.49 0.69 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.435 . . . . 41.079999999999998 110.96 180.0 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -63.58 -31.06 72.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 42.460000000000001 110.71 179.874 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.02 -35.68 79.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.319 -0.401 . . . . 34.869999999999997 110.444 179.665 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -71.12 -54.81 9.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.056 -0.52 . . . . 30.66 110.204 179.343 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 57' ' ' ARG . . . . . . . . . . . . . 1.7 mtp85 -60.68 -40.48 92.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.869 -0.605 . . . . 38.380000000000003 110.26 179.311 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 14.7 mt -61.65 -52.99 62.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.86 -0.609 . . . . 32.530000000000001 110.783 179.589 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -49.28 -29.9 6.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.1 -0.5 . . . . 22.5 111.084 -179.935 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -81.57 -28.77 33.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 19.52 110.637 179.731 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -77.98 -47.58 18.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.08 -0.509 . . . . 20.920000000000002 110.682 179.826 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 51.0 mm-40 -59.48 -45.47 91.58 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.885 -0.598 . . . . 21.91 110.781 179.972 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 63' ' ' SER . . . . . . . . . . . . . 81.9 p -62.32 -35.71 79.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 18.34 110.698 179.85 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -58.43 -38.54 77.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 24.010000000000002 110.718 179.914 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 65' ' ' LEU . . . . . . . . . . . . . 1.9 mt -63.94 -45.0 91.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 22.059999999999999 110.676 179.887 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 66' ' ' VAL . . . . . . . . . . . . . 42.3 t -64.36 -40.59 89.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.087 -0.506 . . . . 15.07 110.906 179.938 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 67' ' ' LYS . . . . . . . . . . . . . 34.7 tttt -59.73 -51.23 70.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.098 -0.501 . . . . 8.0099999999999998 110.661 179.865 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 68' ' ' LYS . . . . . . . . . . . . . 2.0 ttmt -55.62 -38.16 69.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.266 -0.424 . . . . 18.370000000000001 110.556 179.76 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 69' ' ' MET . . . . . . . . . . . . . 46.9 ttp -63.22 -39.54 94.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.063 -0.517 . . . . 10.65 110.567 179.702 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 24.7 t -72.99 -45.73 53.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 10.779999999999999 110.661 179.794 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 71' ' ' PHE . . . . . 0.424 ' O ' ' HB2' ' C' ' 75' ' ' LYS . 22.0 t80 -51.37 -72.98 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.95 -0.389 . . . . 20.960000000000001 109.95 179.397 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -44.41 -34.57 2.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 14.99 111.063 179.409 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 73' ' ' THR . . . . . . . . . . . . . 18.0 m -68.21 -73.29 0.15 Allowed 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 116.248 -0.433 . . . . 8.8699999999999992 110.133 179.613 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 74' ' ' LEU . . . . . 0.451 ' CD1' ' HB2' ' D' ' 62' ' ' GLN . 20.4 mt -51.24 -32.0 22.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.036 -0.529 . . . . 14.93 111.089 179.864 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' C' C ' 75' ' ' LYS . . . . . 0.424 ' HB2' ' O ' ' C' ' 71' ' ' PHE . 2.2 ttmt -54.73 -61.89 2.02 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.286 -0.416 . . . . 17.440000000000001 110.599 179.766 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' C' C ' 76' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.22 -32.77 72.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 18.98 110.783 179.757 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.69 -65.82 0.63 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.074 -0.512 . . . . 21.16 110.465 179.875 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' C' C ' 78' ' ' TYR . . . . . 0.403 ' HA ' ' OG1' ' C' ' 81' ' ' THR . 21.1 m-30 -54.42 -26.67 32.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.845 0.355 . . . . 29.300000000000001 110.607 179.589 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 3.5 mttt -66.63 -41.03 88.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.473 . . . . 26.09 110.904 -179.984 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 5.1 ttpt -68.24 -33.73 74.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.426 . . . . 30.629999999999999 110.831 -179.926 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 81' ' ' THR . . . . . 0.403 ' OG1' ' HA ' ' C' ' 78' ' ' TYR . 0.1 OUTLIER -58.35 -47.29 84.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.142 -0.481 . . . . 33.780000000000001 110.923 179.806 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' C' C ' 82' ' ' THR . . . . . . . . . . . . . 1.9 p . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.2 -0.905 . . . . 41.57 110.902 -179.894 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' D' D ' 52' ' ' ARG . . . . . . . . . . . . . 16.3 mmt180 . . . . . 0 N--CA 1.487 1.404 0 CA-C-O 120.837 0.351 . . . . 41.549999999999997 111.228 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' D' D ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -95.2 24.03 5.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 37.439999999999998 110.961 179.917 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -64.36 -25.05 67.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.26 -0.427 . . . . 32.07 110.988 -179.9 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.62 -48.24 81.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 29.420000000000002 111.209 -179.944 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -63.19 -44.2 96.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.295 -0.411 . . . . 32.159999999999997 110.911 179.957 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 57' ' ' ARG . . . . . . . . . . . . . 66.4 mtt-85 -62.1 -37.03 83.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 24.77 110.793 179.878 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 58' ' ' LEU . . . . . . . . . . . . . 36.3 mt -62.96 -53.48 53.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.055 -0.521 . . . . 21.210000000000001 110.773 179.978 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.15 -40.07 57.74 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.976 -0.556 . . . . 22.059999999999999 111.004 -179.953 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 60' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -66.15 -34.58 78.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.157 -0.474 . . . . 22.460000000000001 110.589 179.843 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 61' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.7 -42.58 86.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 16.16 110.552 179.667 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' D' D ' 62' ' ' GLN . . . . . 0.451 ' HB2' ' CD1' ' C' ' 74' ' ' LEU . 2.5 mm-40 -72.05 -48.34 45.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.89 -0.595 . . . . 11.550000000000001 111.302 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' D' D ' 63' ' ' SER . . . . . . . . . . . . . 1.8 p -51.68 -52.11 50.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.378 -0.374 . . . . 16.469999999999999 111.569 -179.294 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 64' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -57.3 -58.4 8.39 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 111.841 0.312 . . . . 14.26 111.841 -179.25 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 65' ' ' LEU . . . . . 0.426 HD13 ' N ' ' D' ' 66' ' ' VAL . 1.6 pp -52.32 -32.73 39.36 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.856 -0.338 . . . . 10.140000000000001 110.919 -179.586 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' D' D ' 66' ' ' VAL . . . . . 0.437 ' CG2' ' O ' ' D' ' 62' ' ' GLN . 93.7 t -61.15 -52.35 62.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.433 -0.348 . . . . 8.3599999999999994 111.006 179.736 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' D' D ' 67' ' ' LYS . . . . . . . . . . . . . 7.8 ttmt -52.38 -35.77 52.27 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.294 -0.412 . . . . 8.1500000000000004 110.864 -179.82 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.53 -38.76 87.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.248 -0.433 . . . . 13.43 111.431 -179.688 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' D' D ' 69' ' ' MET . . . . . 0.444 ' HG2' ' N ' ' D' ' 70' ' ' VAL . 2.5 ptt? -68.25 -39.04 82.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.878 0.37 . . . . 11.57 110.99 -179.677 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' D' D ' 70' ' ' VAL . . . . . 0.444 ' N ' ' HG2' ' D' ' 69' ' ' MET . 62.1 t -87.06 -25.04 6.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.175 -0.466 . . . . 13.85 111.661 -179.525 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -65.27 -36.94 85.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.836 0.35 . . . . 18.010000000000002 110.441 179.669 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -78.26 -44.32 25.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.115 -0.493 . . . . 25.350000000000001 110.525 179.575 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 73' ' ' THR . . . . . . . . . . . . . 53.0 m -57.77 -43.04 85.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.28 -0.418 . . . . 25.050000000000001 110.718 179.784 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 74' ' ' LEU . . . . . . . . . . . . . 51.5 mt -64.62 -43.0 95.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.107 -0.497 . . . . 25.43 110.771 -179.966 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 75' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -50.01 -40.7 45.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.277 -0.419 . . . . 25.859999999999999 110.694 179.865 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' D' D ' 76' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -79.99 -31.27 39.78 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.985 -0.552 . . . . 27.850000000000001 110.608 179.787 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 77' ' ' LEU . . . . . . . . . . . . . 23.8 mt -60.82 -38.24 84.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.044 -0.525 . . . . 28.559999999999999 110.824 179.922 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 78' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -84.34 -37.07 22.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 32.229999999999997 110.822 179.828 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 79' ' ' LYS . . . . . . . . . . . . . 2.4 mmmt -63.3 -22.26 66.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.073 -0.512 . . . . 45.289999999999999 111.142 179.998 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.97 -23.53 60.67 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.416 -0.356 . . . . 39.659999999999997 111.209 -179.812 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' D' D ' 81' ' ' THR . . . . . . . . . . . . . 8.5 t -125.94 61.39 1.26 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.354 -0.384 . . . . 39.880000000000003 110.943 179.94 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 82' ' ' THR . . . . . . . . . . . . . 4.4 t . . . . . 0 C--O 1.247 0.969 0 CA-C-O 118.219 -0.896 . . . . 48.579999999999998 110.878 -179.998 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.867 0.365 . . . . 45.689999999999998 111.099 . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -122.93 77.1 1.42 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.449 . . . . 41.380000000000003 111.021 -179.909 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 46.5 p-10 -53.6 -30.39 42.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 39.840000000000003 110.711 179.806 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.1 -41.64 97.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.397 -0.365 . . . . 35.869999999999997 110.519 179.665 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 50.0 tt0 -66.3 -50.33 64.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.102 -0.499 . . . . 31.0 110.338 179.504 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.43 ' NH1' ' HB3' ' A' ' 57' ' ' ARG . 3.4 mtm105 -61.5 -47.3 86.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.891 -0.595 . . . . 38.18 110.089 179.265 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.8 mt -51.79 -51.59 55.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.688 -0.687 . . . . 27.93 110.697 179.586 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -50.16 -39.03 42.25 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.053 -0.521 . . . . 20.370000000000001 110.892 179.783 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -69.64 -27.25 64.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.963 -0.562 . . . . 20.68 110.543 179.657 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -77.42 -50.51 12.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.07 -0.513 . . . . 22.140000000000001 110.605 179.831 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.419 ' CA ' ' OE1' ' A' ' 62' ' ' GLN . 1.0 OUTLIER -60.4 -43.03 97.09 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.965 -0.561 . . . . 25.469999999999999 110.537 179.714 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 66.8 p -60.86 -37.4 81.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.117 -0.492 . . . . 18.129999999999999 110.653 179.627 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -58.18 -42.65 86.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 25.23 110.613 179.749 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 6.9 mt -59.91 -39.68 86.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 19.75 110.541 179.756 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 20.0 t -66.28 -43.83 91.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.086 -0.506 . . . . 16.59 110.932 179.657 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 43.9 tttt -58.12 -44.64 87.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.962 -0.563 . . . . 11.84 110.66 179.931 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 4.1 mtpt -59.69 -38.46 81.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.944 0.402 . . . . 13.710000000000001 110.714 179.822 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 47.4 ttp -66.83 -44.61 80.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.094 -0.503 . . . . 9.2100000000000009 110.698 179.747 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 71.1 t -71.44 -41.24 73.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.052 -0.522 . . . . 10.35 110.937 179.983 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.481 ' CZ ' ' HD3' ' A' ' 75' ' ' LYS . 39.8 t80 -56.35 -58.29 8.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.792 0.33 . . . . 13.49 110.234 179.817 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -54.02 -44.4 70.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 11.390000000000001 110.462 179.677 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 19.9 m -64.01 -69.74 0.26 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.227 -0.442 . . . . 12.06 110.346 179.572 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.475 ' CD1' ' CB ' ' B' ' 62' ' ' GLN . 10.7 mt -50.69 -38.15 45.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.103 -0.499 . . . . 15.5 111.111 -179.952 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.481 ' HD3' ' CZ ' ' A' ' 71' ' ' PHE . 6.8 ttpp -53.04 -69.51 0.11 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.064 0.459 . . . . 13.81 110.385 179.63 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -63.57 -28.58 70.03 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.637 -0.71 . . . . 17.34 111.135 179.965 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.416 ' HB3' ' HA ' ' A' ' 74' ' ' LEU . 1.9 tp -65.48 -56.22 13.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.488 -0.324 . . . . 21.449999999999999 110.91 -179.905 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 23.2 m-30 -63.18 -23.85 67.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.325 -0.398 . . . . 26.329999999999998 110.899 179.908 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.37 -29.43 62.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.349 -0.387 . . . . 27.84 110.851 179.944 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 4.1 mttt -78.69 -25.75 44.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 27.66 111.089 -179.802 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -65.21 -46.46 80.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.326 -0.397 . . . . 34.579999999999998 111.013 -179.994 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.4 p . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.274 -0.87 . . . . 38.200000000000003 110.91 179.969 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.817 0.341 . . . . 45.289999999999999 111.201 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -122.82 22.9 9.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 39.109999999999999 111.047 179.982 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 14.1 p-10 -63.04 -26.51 68.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.891 0.377 . . . . 33.93 110.776 179.811 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -54.0 -45.78 71.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.948 -0.569 . . . . 31.82 110.954 179.879 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.01 -51.0 52.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.026 -0.534 . . . . 32.090000000000003 110.579 179.782 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 51.1 mtp180 -54.94 -34.48 63.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 28.789999999999999 110.552 179.738 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . 0.42 ' CD2' HG23 ' D' ' 73' ' ' THR . 6.4 mt -66.47 -60.72 2.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.074 -0.512 . . . . 22.899999999999999 110.586 179.753 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -47.28 -33.34 5.51 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.965 -0.561 . . . . 21.149999999999999 110.873 179.792 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -64.44 -42.14 96.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.088 -0.505 . . . . 18.899999999999999 110.35 179.483 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -67.55 -37.23 82.39 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.985 -0.552 . . . . 12.550000000000001 110.359 179.509 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . 0.475 ' CB ' ' CD1' ' A' ' 74' ' ' LEU . 5.6 mm-40 -67.67 -43.07 81.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.915 -0.584 . . . . 11.16 110.382 179.505 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.58 -64.09 0.96 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.949 -0.569 . . . . 17.07 110.884 179.972 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -49.44 -30.24 7.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.102 -0.499 . . . . 18.300000000000001 110.979 -179.898 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.11 -38.99 72.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 11.619999999999999 110.842 179.897 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 2.2 t -68.68 -39.33 80.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.139 -0.482 . . . . 9.7699999999999996 110.988 -179.882 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . 0.417 ' O ' ' N ' ' B' ' 71' ' ' PHE . 13.9 ttpt -57.24 -58.81 6.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.049 -0.523 . . . . 15.65 110.981 -179.898 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -52.37 -33.34 42.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.36 -0.382 . . . . 11.08 110.731 179.962 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 69' ' ' MET . . . . . . . . . . . . . 54.7 ttp -67.8 -54.16 21.35 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.251 -0.431 . . . . 10.960000000000001 110.935 179.953 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 35.6 t -75.37 -20.56 16.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.276 -0.42 . . . . 10.93 111.39 -179.859 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.417 ' N ' ' O ' ' B' ' 67' ' ' LYS . 17.6 t80 -61.99 -45.95 91.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.921 0.391 . . . . 18.170000000000002 110.478 179.76 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -69.49 -45.5 68.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.028 -0.533 . . . . 24.32 110.618 179.709 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 73' ' ' THR . . . . . . . . . . . . . 52.5 m -54.57 -48.95 71.47 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.197 -0.456 . . . . 22.98 110.792 179.848 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 61.7 mt -59.48 -42.13 91.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.44 . . . . 27.02 110.86 179.977 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 3.1 tttp -50.18 -44.49 52.88 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.163 -0.471 . . . . 32.210000000000001 110.818 179.946 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -76.45 -26.31 55.29 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.963 -0.562 . . . . 28.52 110.749 179.869 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . 0.476 ' CD1' ' CD1' ' C' ' 78' ' ' TYR . 19.6 mt -67.42 -34.92 78.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 28.190000000000001 110.837 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -77.39 -58.71 3.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 33.920000000000002 110.867 -179.972 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.43 -29.55 35.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.33 -0.396 . . . . 43.039999999999999 110.741 179.924 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.98 -23.37 45.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 41.600000000000001 110.955 179.868 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 3.3 t -152.35 94.92 1.98 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.247 -0.433 . . . . 40.359999999999999 110.844 179.938 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.281 -0.866 . . . . 50.170000000000002 110.911 179.972 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 120.864 0.364 . . . . 48.259999999999998 111.165 . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 53' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -122.91 77.03 1.41 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.072 -0.513 . . . . 35.82 111.012 -179.86 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 46.6 p-10 -53.6 -30.38 42.21 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.26 -0.427 . . . . 38.329999999999998 110.836 179.798 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.0 -41.66 96.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.925 0.393 . . . . 31.0 110.533 179.608 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 49.9 tt0 -66.34 -50.32 63.97 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.104 -0.498 . . . . 27.449999999999999 110.347 179.454 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 57' ' ' ARG . . . . . 0.427 ' HB3' ' NH1' ' C' ' 57' ' ' ARG . 3.5 mtm105 -61.56 -47.11 86.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.985 -0.552 . . . . 27.899999999999999 110.101 179.266 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 6.8 mt -51.84 -51.74 54.43 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.721 -0.672 . . . . 30.239999999999998 110.585 179.565 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -50.11 -38.94 41.27 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.115 -0.493 . . . . 25.789999999999999 110.833 179.892 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -69.77 -27.37 64.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.99 -0.55 . . . . 27.210000000000001 110.477 179.702 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -77.19 -50.59 12.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.029 -0.532 . . . . 27.010000000000002 110.642 179.764 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 62' ' ' GLN . . . . . 0.427 ' CA ' ' OE1' ' C' ' 62' ' ' GLN . 1.0 OUTLIER -60.25 -43.19 96.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.923 -0.58 . . . . 19.760000000000002 110.62 179.671 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' C' C ' 63' ' ' SER . . . . . . . . . . . . . 64.3 p -60.77 -37.38 81.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.027 -0.533 . . . . 16.309999999999999 110.536 179.705 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -58.19 -42.83 86.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 15.789999999999999 110.602 179.761 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 65' ' ' LEU . . . . . . . . . . . . . 7.0 mt -59.78 -39.76 86.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 18.719999999999999 110.503 179.72 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 66' ' ' VAL . . . . . . . . . . . . . 19.5 t -66.27 -43.71 91.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 10.050000000000001 110.793 179.611 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 67' ' ' LYS . . . . . 0.443 ' HG3' ' CB ' ' D' ' 63' ' ' SER . 42.2 tttt -57.71 -45.23 86.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.078 -0.51 . . . . 18.25 110.681 179.925 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' C' C ' 68' ' ' LYS . . . . . . . . . . . . . 4.1 mtpt -59.7 -38.26 81.11 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.221 -0.445 . . . . 24.109999999999999 110.682 -179.959 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 69' ' ' MET . . . . . . . . . . . . . 47.6 ttp -66.97 -44.53 80.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.476 . . . . 9.9700000000000006 110.719 179.763 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 68.1 t -71.38 -41.02 73.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.069 -0.514 . . . . 6.4100000000000001 111.121 179.919 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 71' ' ' PHE . . . . . 0.477 ' CZ ' ' HD3' ' C' ' 75' ' ' LYS . 40.1 t80 -56.72 -58.35 8.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.755 0.312 . . . . 18.870000000000001 110.24 179.686 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -53.86 -44.34 70.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 11.5 110.525 179.648 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 73' ' ' THR . . . . . . . . . . . . . 19.9 m -64.23 -69.67 0.27 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.136 -0.484 . . . . 11.539999999999999 110.312 179.605 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 74' ' ' LEU . . . . . 0.446 ' CD1' ' CB ' ' D' ' 62' ' ' GLN . 10.8 mt -50.59 -38.4 45.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 19.059999999999999 111.068 -179.956 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' C' C ' 75' ' ' LYS . . . . . 0.477 ' HD3' ' CZ ' ' C' ' 71' ' ' PHE . 6.9 ttpp -52.83 -69.7 0.11 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.104 0.478 . . . . 21.0 110.383 179.603 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' C' C ' 76' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -63.51 -28.52 70.01 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.685 -0.689 . . . . 16.77 111.171 -179.988 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 2.0 tp -65.66 -56.31 12.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.418 -0.356 . . . . 20.329999999999998 110.788 -179.822 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 78' ' ' TYR . . . . . 0.476 ' CD1' ' CD1' ' B' ' 77' ' ' LEU . 23.0 m-30 -63.07 -23.81 67.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.366 -0.379 . . . . 27.02 110.974 179.853 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.33 -29.61 62.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.315 -0.402 . . . . 27.289999999999999 110.781 179.922 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 4.3 mttt -78.44 -25.69 46.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.346 -0.388 . . . . 30.469999999999999 111.16 -179.817 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -65.33 -46.28 80.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.271 -0.422 . . . . 34.340000000000003 110.936 -179.85 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' C' C ' 82' ' ' THR . . . . . . . . . . . . . 3.6 p . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.271 -0.871 . . . . 40.780000000000001 110.963 -179.926 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' D' D ' 52' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? . . . . . 0 N--CA 1.487 1.401 0 CA-C-O 120.853 0.358 . . . . 42.880000000000003 111.092 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' D' D ' 53' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -122.91 22.86 9.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 41.130000000000003 111.093 -179.976 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 14.0 p-10 -63.11 -26.48 68.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.954 0.406 . . . . 34.380000000000003 110.753 179.833 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' D' D ' 55' ' ' ALA . . . . . . . . . . . . . . . -54.15 -45.65 72.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.065 -0.516 . . . . 34.0 110.892 179.841 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.94 -50.9 53.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.088 -0.505 . . . . 31.489999999999998 110.681 179.738 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' D' D ' 57' ' ' ARG . . . . . . . . . . . . . 50.9 mtp180 -55.16 -34.44 63.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.063 -0.517 . . . . 23.800000000000001 110.564 179.756 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' D' D ' 58' ' ' LEU . . . . . . . . . . . . . 6.3 mt -66.45 -60.54 2.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.971 -0.559 . . . . 19.600000000000001 110.645 179.693 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' D' D ' 59' ' ' ALA . . . . . . . . . . . . . . . -47.45 -33.37 6.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.878 -0.601 . . . . 18.690000000000001 110.938 179.829 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' D' D ' 60' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -64.4 -41.87 96.42 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.121 -0.491 . . . . 24.690000000000001 110.311 179.454 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' D' D ' 61' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -67.8 -37.31 81.84 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.06 -0.518 . . . . 17.190000000000001 110.377 179.44 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' D' D ' 62' ' ' GLN . . . . . 0.446 ' CB ' ' CD1' ' C' ' 74' ' ' LEU . 5.6 mm-40 -67.66 -42.58 81.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.958 -0.564 . . . . 15.800000000000001 110.372 179.496 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' D' D ' 63' ' ' SER . . . . . 0.443 ' CB ' ' HG3' ' C' ' 67' ' ' LYS . 0.1 OUTLIER -56.09 -64.4 0.87 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.878 -0.601 . . . . 14.470000000000001 110.956 179.84 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' D' D ' 64' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -49.09 -30.34 6.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 8.6199999999999992 110.964 -179.997 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' D' D ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.01 -39.42 72.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.488 . . . . 6.2199999999999998 110.811 179.863 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' D' D ' 66' ' ' VAL . . . . . . . . . . . . . 2.2 t -68.43 -38.79 79.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.249 -0.432 . . . . 7.4500000000000002 111.104 -179.943 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' D' D ' 67' ' ' LYS . . . . . 0.4 ' O ' ' N ' ' D' ' 71' ' ' PHE . 14.0 ttpt -57.75 -58.81 6.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.175 -0.466 . . . . 17.050000000000001 110.922 -179.86 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' D' D ' 68' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -52.15 -33.47 40.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.45 -0.341 . . . . 20.02 110.743 179.95 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' D' D ' 69' ' ' MET . . . . . . . . . . . . . 54.8 ttp -67.69 -54.35 20.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 13.1 110.991 179.959 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' D' D ' 70' ' ' VAL . . . . . . . . . . . . . 37.3 t -75.03 -20.79 16.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 15.800000000000001 111.401 -179.922 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' D' D ' 71' ' ' PHE . . . . . 0.4 ' N ' ' O ' ' D' ' 67' ' ' LYS . 17.5 t80 -61.85 -46.0 91.34 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.918 0.389 . . . . 26.370000000000001 110.512 179.753 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -69.4 -45.56 68.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.056 -0.52 . . . . 29.030000000000001 110.558 179.735 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' D' D ' 73' ' ' THR . . . . . 0.42 HG23 ' CD2' ' B' ' 58' ' ' LEU . 53.3 m -54.58 -49.1 71.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 22.140000000000001 110.778 179.875 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' D' D ' 74' ' ' LEU . . . . . . . . . . . . . 60.8 mt -59.42 -41.99 90.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 20.989999999999998 110.857 -179.996 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' D' D ' 75' ' ' LYS . . . . . . . . . . . . . 3.0 tttp -50.32 -44.37 54.18 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.23 -0.441 . . . . 26.690000000000001 110.807 179.894 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' D' D ' 76' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -76.53 -26.27 55.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.057 -0.519 . . . . 30.949999999999999 110.684 179.879 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' D' D ' 77' ' ' LEU . . . . . . . . . . . . . 19.6 mt -67.43 -34.78 77.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.064 -0.517 . . . . 30.09 110.93 179.978 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' D' D ' 78' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -77.68 -58.17 3.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 33.07 111.012 -179.996 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' D' D ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.93 -29.27 41.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.326 -0.397 . . . . 42.380000000000003 110.726 179.927 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' D' D ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.26 -23.25 46.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.093 -0.503 . . . . 40.719999999999999 110.882 179.8 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' D' D ' 81' ' ' THR . . . . . . . . . . . . . 3.3 t -152.37 94.83 1.96 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.324 -0.398 . . . . 40.920000000000002 110.934 179.961 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' D' D ' 82' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.23 -0.891 . . . . 47.329999999999998 110.878 -179.986 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.727 0.298 . . . . 44.039999999999999 111.189 . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 17.7 p30 -161.09 -177.87 6.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 38.939999999999998 111.096 -179.951 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -73.44 -28.63 62.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 41.93 111.016 179.947 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.04 -39.47 94.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.897 0.38 . . . . 34.409999999999997 110.583 179.633 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.28 -55.98 25.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.077 -0.51 . . . . 30.309999999999999 110.38 179.431 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 54.7 ttp180 -64.62 -49.07 72.51 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.866 -0.607 . . . . 37.450000000000003 110.257 179.451 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.423 HD11 ' CE1' ' B' ' 78' ' ' TYR . 1.3 tm? -54.78 -51.24 66.36 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.815 -0.629 . . . . 32.270000000000003 110.298 179.435 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.25 -44.03 88.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.989 -0.55 . . . . 25.059999999999999 110.862 179.541 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -52.18 -37.35 54.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.048 -0.524 . . . . 22.739999999999998 110.763 179.897 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -72.37 -41.5 66.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 22.510000000000002 110.847 179.929 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 69.9 mm-40 -63.21 -39.83 95.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.116 -0.493 . . . . 20.489999999999998 110.619 179.756 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 14.9 p -71.08 -33.0 69.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.087 -0.506 . . . . 18.420000000000002 110.628 179.772 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -69.65 -34.14 73.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 23.780000000000001 110.699 179.811 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.2 mt -70.3 -40.53 74.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.055 -0.52 . . . . 21.0 110.768 179.884 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 45.4 t -69.2 -40.58 80.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.135 -0.484 . . . . 13.800000000000001 110.874 179.745 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 24.1 tttt -64.19 -43.71 94.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.996 -0.547 . . . . 9.5700000000000003 110.719 179.844 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 21.3 mtpt -60.82 -38.35 85.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 20.370000000000001 110.558 179.682 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 20.7 ttp -65.59 -43.44 89.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.086 -0.506 . . . . 11.51 110.686 179.815 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 78.6 t -71.28 -42.71 74.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.109 -0.496 . . . . 9.1099999999999994 110.969 179.942 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.421 ' O ' ' CB ' ' A' ' 75' ' ' LYS . 10.7 t80 -51.86 -60.48 3.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.819 0.342 . . . . 22.02 110.505 179.738 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -53.35 -47.73 69.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 13.859999999999999 110.665 179.795 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.2 m -60.19 -69.86 0.2 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.362 -0.381 . . . . 8.3699999999999992 110.301 179.65 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.459 ' CD1' ' HB2' ' B' ' 62' ' ' GLN . 15.2 mt -51.06 -37.2 44.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.082 -0.508 . . . . 15.33 111.112 -179.945 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.421 ' CB ' ' O ' ' A' ' 71' ' ' PHE . 14.7 ttpt -55.67 -67.41 0.29 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.127 0.489 . . . . 18.960000000000001 110.135 179.467 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.13 -30.34 71.51 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.561 -0.745 . . . . 19.149999999999999 110.848 179.695 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.406 ' HB3' ' HA ' ' A' ' 74' ' ' LEU . 1.2 tp -65.25 -56.04 14.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.374 -0.375 . . . . 21.030000000000001 110.539 179.947 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 22.5 m-30 -62.17 -26.37 68.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.913 0.387 . . . . 29.399999999999999 110.417 179.454 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.15 -30.08 68.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.009 -0.541 . . . . 26.41 110.708 179.821 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.7 tttt -59.96 -37.97 81.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 31.68 110.732 179.915 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 32.3 p -64.78 -56.51 13.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.975 -0.557 . . . . 34.640000000000001 110.88 179.923 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 29.5 p . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.274 -0.87 . . . . 41.469999999999999 110.97 179.996 . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 16.9 mtm-85 . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.803 0.335 . . . . 46.659999999999997 111.227 . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 179.15 173.36 0.79 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 36.840000000000003 110.961 179.949 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -55.19 -27.59 46.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 31.379999999999999 110.921 -179.975 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -51.09 -40.26 57.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.299 -0.41 . . . . 29.52 110.872 179.839 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -72.69 -49.72 29.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.014 -0.539 . . . . 30.670000000000002 110.578 179.712 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 31.5 mtt85 -56.15 -36.36 68.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.117 -0.492 . . . . 22.879999999999999 110.531 179.803 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . 0.429 ' CD2' HG23 ' D' ' 73' ' ' THR . 51.7 mt -66.68 -62.44 1.45 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.028 -0.533 . . . . 19.760000000000002 110.626 179.682 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -47.92 -29.36 3.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.78 -0.645 . . . . 21.0 111.054 179.896 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 62.8 t0 -79.24 -33.05 43.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 23.02 110.571 179.781 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.02 -41.0 74.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 17.390000000000001 110.212 179.448 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . 0.459 ' HB2' ' CD1' ' A' ' 74' ' ' LEU . 2.0 mm-40 -73.67 -47.64 38.27 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.819 -0.628 . . . . 11.67 110.485 179.736 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 48.9 p -52.11 -55.65 19.51 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.316 -0.402 . . . . 15.619999999999999 110.549 179.91 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . 0.423 ' HG3' ' N ' ' B' ' 65' ' ' LEU . 10.3 pt-20 -52.71 -36.81 58.02 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 116.226 -0.443 . . . . 12.06 110.201 179.383 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . 0.423 ' N ' ' HG3' ' B' ' 64' ' ' GLU . 0.2 OUTLIER -62.74 -37.8 88.02 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.826 -0.624 . . . . 9.1199999999999992 110.489 179.412 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . 0.406 ' HA ' ' HG2' ' B' ' 69' ' ' MET . 23.3 t -68.52 -36.75 76.05 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.145 -0.479 . . . . 8.0600000000000005 111.446 -179.958 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . 0.432 ' O ' ' CB ' ' B' ' 71' ' ' PHE . 3.4 tttm -68.97 -33.91 74.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.329 -0.396 . . . . 6.25 110.905 -179.796 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 9.9 mttp -75.4 -38.68 59.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.256 -0.429 . . . . 16.82 110.857 179.981 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 69' ' ' MET . . . . . 0.431 ' CE ' ' HB3' ' D' ' 62' ' ' GLN . 18.5 ptt? -76.2 -33.88 59.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.301 -0.409 . . . . 12.07 110.901 179.889 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 68.7 t -84.48 -25.69 7.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 14.130000000000001 111.317 -179.798 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.432 ' CB ' ' O ' ' B' ' 67' ' ' LYS . 21.2 t80 -71.67 -34.58 69.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.888 0.375 . . . . 21.359999999999999 110.296 179.536 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.35 -46.66 47.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.987 -0.551 . . . . 26.309999999999999 110.555 179.621 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 73' ' ' THR . . . . . . . . . . . . . 95.1 m -52.65 -52.21 56.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 25.050000000000001 110.6 179.772 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 48.7 mt -56.73 -42.52 79.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 24.0 110.645 179.728 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 3.4 tptp -52.64 -44.03 65.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.234 -0.439 . . . . 25.09 110.35 179.549 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -74.37 -29.47 61.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.825 -0.625 . . . . 28.390000000000001 110.407 179.454 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 27.5 mt -63.64 -52.0 62.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.883 -0.599 . . . . 29.77 110.651 179.845 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 78' ' ' TYR . . . . . 0.423 ' CE1' HD11 ' A' ' 58' ' ' LEU . 20.1 m-85 -73.34 -37.37 66.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 31.870000000000001 110.605 179.761 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 27.3 ttpp -53.02 -37.84 61.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.964 -0.562 . . . . 43.670000000000002 110.886 179.958 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.36 -24.24 66.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.106 -0.497 . . . . 39.340000000000003 111.0 -179.979 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -143.42 75.69 1.49 Allowed 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 116.226 -0.443 . . . . 39.869999999999997 110.949 179.952 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.183 -0.913 . . . . 45.859999999999999 110.904 -179.926 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.817 0.341 . . . . 41.979999999999997 111.141 . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 53' ' ' ASN . . . . . . . . . . . . . 17.8 p30 -161.11 -177.82 6.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 38.159999999999997 111.032 -179.984 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -73.55 -28.64 61.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 36.880000000000003 110.921 -179.923 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.98 -39.54 95.0 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.385 -0.37 . . . . 32.259999999999998 110.524 179.71 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.3 -55.88 26.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.025 -0.534 . . . . 29.18 110.375 179.546 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' C' C ' 57' ' ' ARG . . . . . . . . . . . . . 54.7 ttp180 -64.69 -49.14 72.08 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.904 -0.589 . . . . 33.020000000000003 110.231 179.477 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -54.71 -51.33 65.93 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.767 -0.651 . . . . 26.170000000000002 110.251 179.39 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.25 -43.89 88.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.106 -0.497 . . . . 23.039999999999999 110.861 179.584 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -52.38 -37.08 55.5 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.024 -0.534 . . . . 27.18 110.796 179.871 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -72.53 -41.65 65.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.274 -0.421 . . . . 26.77 110.772 179.869 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 70.5 mm-40 -62.99 -39.83 95.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.093 -0.503 . . . . 23.809999999999999 110.682 179.727 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 63' ' ' SER . . . . . . . . . . . . . 14.8 p -71.0 -33.05 70.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.062 -0.517 . . . . 16.719999999999999 110.658 179.787 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -69.73 -34.02 73.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.083 -0.508 . . . . 22.219999999999999 110.713 179.836 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 65' ' ' LEU . . . . . . . . . . . . . 1.2 mt -70.25 -40.75 74.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 16.32 110.69 179.814 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 66' ' ' VAL . . . . . . . . . . . . . 45.7 t -68.96 -40.92 81.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 12.83 110.873 179.771 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 67' ' ' LYS . . . . . . . . . . . . . 24.1 tttt -63.99 -43.71 94.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.994 -0.548 . . . . 19.949999999999999 110.713 179.907 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 68' ' ' LYS . . . . . . . . . . . . . 21.1 mtpt -60.87 -38.25 84.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 18.079999999999998 110.581 179.737 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 69' ' ' MET . . . . . . . . . . . . . 20.8 ttp -65.73 -43.29 89.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.05 -0.523 . . . . 7.0 110.704 179.764 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 77.8 t -71.33 -42.9 74.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 7.79 110.872 179.863 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 71' ' ' PHE . . . . . 0.427 ' O ' ' CB ' ' C' ' 75' ' ' LYS . 10.6 t80 -51.55 -60.65 2.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.784 0.325 . . . . 8.5500000000000007 110.475 179.671 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -53.34 -47.35 69.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 10.09 110.671 179.918 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 73' ' ' THR . . . . . . . . . . . . . 18.1 m -60.7 -69.76 0.21 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.318 -0.401 . . . . 14.779999999999999 110.277 179.742 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 74' ' ' LEU . . . . . 0.465 ' CD1' ' HB2' ' D' ' 62' ' ' GLN . 15.5 mt -51.14 -36.98 43.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.059 -0.519 . . . . 18.75 111.134 -179.965 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' C' C ' 75' ' ' LYS . . . . . 0.427 ' CB ' ' O ' ' C' ' 71' ' ' PHE . 14.8 ttpt -55.91 -67.43 0.29 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.128 0.49 . . . . 18.460000000000001 110.073 179.442 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' C' C ' 76' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.03 -30.45 71.61 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.541 -0.754 . . . . 14.76 110.903 179.676 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' C' C ' 77' ' ' LEU . . . . . 0.404 ' HB3' ' HA ' ' C' ' 74' ' ' LEU . 1.3 tp -65.16 -55.97 15.58 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.407 -0.36 . . . . 20.289999999999999 110.564 179.968 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' C' C ' 78' ' ' TYR . . . . . . . . . . . . . 22.4 m-30 -62.29 -26.35 68.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.291 -0.413 . . . . 23.93 110.369 179.501 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.13 -29.9 68.05 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.026 -0.534 . . . . 29.149999999999999 110.743 179.893 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 3.7 tttt -60.11 -37.87 81.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.477 . . . . 27.41 110.707 179.878 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 81' ' ' THR . . . . . . . . . . . . . 31.5 p -64.83 -56.47 13.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.027 -0.533 . . . . 34.109999999999999 110.893 179.952 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 82' ' ' THR . . . . . . . . . . . . . 29.8 p . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.245 -0.883 . . . . 38.799999999999997 110.948 -179.985 . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' D' D ' 52' ' ' ARG . . . . . . . . . . . . . 16.8 mtm-85 . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 120.827 0.346 . . . . 46.539999999999999 111.266 . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' D' D ' 53' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 178.82 172.96 0.75 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.231 -0.44 . . . . 40.759999999999998 110.927 179.989 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -54.65 -27.78 42.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.096 -0.502 . . . . 34.009999999999998 110.975 -179.963 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' D' D ' 55' ' ' ALA . . . . . . . . . . . . . . . -51.01 -40.61 58.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.303 -0.408 . . . . 34.549999999999997 110.772 179.874 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -72.46 -49.81 30.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.103 -0.499 . . . . 30.719999999999999 110.581 179.769 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' D' D ' 57' ' ' ARG . . . . . . . . . . . . . 31.3 mtt85 -56.01 -36.56 68.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.468 . . . . 33.380000000000003 110.548 179.698 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' D' D ' 58' ' ' LEU . . . . . . . . . . . . . 50.7 mt -66.65 -62.1 1.63 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 21.460000000000001 110.651 179.764 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' D' D ' 59' ' ' ALA . . . . . 0.406 ' HB3' ' CB ' ' C' ' 74' ' ' LEU . . . -48.15 -29.26 3.52 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.845 -0.616 . . . . 17.460000000000001 111.059 179.891 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' D' D ' 60' ' ' ASP . . . . . . . . . . . . . 62.5 t0 -79.39 -33.01 43.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.084 -0.507 . . . . 18.260000000000002 110.526 179.777 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' D' D ' 61' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.81 -41.17 75.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.104 -0.498 . . . . 12.81 110.27 179.351 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' D' D ' 62' ' ' GLN . . . . . 0.465 ' HB2' ' CD1' ' C' ' 74' ' ' LEU . 2.1 mm-40 -73.46 -47.54 40.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.734 -0.666 . . . . 14.66 110.603 179.671 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' D' D ' 63' ' ' SER . . . . . . . . . . . . . 50.5 p -52.31 -55.69 19.74 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.274 -0.421 . . . . 15.25 110.529 -179.992 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' D' D ' 64' ' ' GLU . . . . . 0.421 ' HG3' ' N ' ' D' ' 65' ' ' LEU . 10.2 pt-20 -52.69 -36.68 57.62 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 116.141 -0.481 . . . . 15.08 110.124 179.473 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' D' D ' 65' ' ' LEU . . . . . 0.421 ' N ' ' HG3' ' D' ' 64' ' ' GLU . 0.2 OUTLIER -62.77 -37.88 88.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.869 -0.605 . . . . 8.3399999999999999 110.43 179.399 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' D' D ' 66' ' ' VAL . . . . . . . . . . . . . 22.3 t -68.54 -36.72 75.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.122 -0.49 . . . . 10.49 111.448 -179.971 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' D' D ' 67' ' ' LYS . . . . . 0.423 ' O ' ' CB ' ' D' ' 71' ' ' PHE . 3.5 tttm -68.95 -33.9 74.47 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.357 -0.383 . . . . 21.629999999999999 110.919 -179.796 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' D' D ' 68' ' ' LYS . . . . . . . . . . . . . 10.0 mttp -75.27 -38.54 60.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.319 -0.4 . . . . 13.34 110.944 179.958 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' D' D ' 69' ' ' MET . . . . . 0.436 ' CE ' ' HB3' ' B' ' 62' ' ' GLN . 18.6 ptt? -76.44 -33.63 58.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.32 -0.4 . . . . 11.82 110.823 179.915 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' D' D ' 70' ' ' VAL . . . . . . . . . . . . . 67.8 t -84.65 -25.83 7.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.188 -0.46 . . . . 13.869999999999999 111.244 -179.824 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' D' D ' 71' ' ' PHE . . . . . 0.423 ' CB ' ' O ' ' D' ' 67' ' ' LYS . 21.1 t80 -71.32 -34.69 70.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.988 0.423 . . . . 22.539999999999999 110.413 179.437 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.31 -47.02 46.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.961 -0.563 . . . . 26.359999999999999 110.544 179.642 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' D' D ' 73' ' ' THR . . . . . 0.429 HG23 ' CD2' ' B' ' 58' ' ' LEU . 96.2 m -52.36 -52.3 54.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 20.32 110.574 179.735 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' D' D ' 74' ' ' LEU . . . . . . . . . . . . . 48.8 mt -56.53 -42.75 78.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 24.879999999999999 110.661 179.74 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' D' D ' 75' ' ' LYS . . . . . . . . . . . . . 3.3 tptp -52.4 -44.24 65.23 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.091 0.472 . . . . 31.48 110.319 179.572 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' D' D ' 76' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -74.34 -29.33 61.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.814 -0.63 . . . . 31.379999999999999 110.487 179.544 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' D' D ' 77' ' ' LEU . . . . . . . . . . . . . 27.4 mt -63.6 -52.09 62.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.89 -0.596 . . . . 30.5 110.64 179.787 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' D' D ' 78' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -73.5 -37.04 65.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.034 -0.53 . . . . 35.299999999999997 110.635 179.79 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' D' D ' 79' ' ' LYS . . . . . . . . . . . . . 27.4 ttpp -53.45 -37.47 62.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.945 -0.571 . . . . 40.240000000000002 110.902 -179.999 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' D' D ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.58 -24.36 66.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 45.340000000000003 110.937 -179.995 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' D' D ' 81' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -143.27 75.58 1.49 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 43.32 110.93 -179.984 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' D' D ' 82' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.094 0 CA-C-O 118.264 -0.874 . . . . 50.079999999999998 110.883 179.989 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 11.0 mmt180 . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 120.824 0.345 . . . . 46.960000000000001 111.266 . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -104.65 23.93 12.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 44.100000000000001 111.127 -179.903 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.34 -34.12 36.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.32 -0.4 . . . . 40.530000000000001 110.757 179.919 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.08 -49.16 71.13 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.252 -0.431 . . . . 35.68 110.65 179.664 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -63.23 -44.03 96.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.043 -0.526 . . . . 31.550000000000001 110.317 179.486 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 41.9 ttm-85 -67.72 -42.77 81.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.834 -0.621 . . . . 38.689999999999998 110.348 179.493 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 12.0 mt -57.91 -48.52 79.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.805 -0.634 . . . . 28.789999999999999 110.648 179.655 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.92 -41.57 62.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.094 -0.503 . . . . 20.66 110.78 179.883 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -72.56 -31.54 65.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.122 -0.49 . . . . 19.829999999999998 110.589 179.85 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.96 -51.68 30.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 21.57 110.76 179.771 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.415 ' HB2' ' CD1' ' B' ' 74' ' ' LEU . 47.7 mm-40 -58.2 -44.64 88.22 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.989 -0.55 . . . . 24.899999999999999 110.664 179.778 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.3 p -62.76 -35.42 79.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.488 . . . . 18.789999999999999 110.761 179.849 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -57.64 -41.94 82.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.079 -0.509 . . . . 26.789999999999999 110.723 179.955 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.1 mt -64.41 -39.17 93.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.264 -0.426 . . . . 20.32 110.615 179.797 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 49.1 t -69.5 -45.91 77.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 15.99 111.012 179.82 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 17.0 tttm -59.24 -57.68 11.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.29 -0.414 . . . . 10.81 110.355 179.708 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.71 -31.43 64.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.475 . . . . 14.449999999999999 110.213 179.503 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 13.6 tmm? -69.49 -42.7 74.42 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.952 -0.567 . . . . 9.9299999999999997 110.467 179.523 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 44.1 t -69.52 -33.13 55.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.032 -0.531 . . . . 10.369999999999999 110.575 179.678 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.431 ' O ' ' CB ' ' A' ' 75' ' ' LYS . 10.8 t80 -55.08 -58.39 7.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.338 -0.392 . . . . 16.460000000000001 110.344 179.641 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -52.44 -50.92 61.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 13.300000000000001 110.722 179.834 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.8 m -57.17 -71.17 0.1 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.363 -0.38 . . . . 10.789999999999999 110.287 179.702 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.467 ' CD1' ' CB ' ' B' ' 62' ' ' GLN . 12.9 mt -49.75 -37.36 29.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 14.449999999999999 111.013 -179.925 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.431 ' CB ' ' O ' ' A' ' 71' ' ' PHE . 2.9 ttpt -54.9 -68.75 0.16 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.142 -0.481 . . . . 13.99 110.367 179.406 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.37 -25.04 67.7 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.541 -0.754 . . . . 17.420000000000002 111.016 179.813 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.414 ' HB3' ' HA ' ' A' ' 74' ' ' LEU . 0.7 OUTLIER -71.72 -65.56 0.75 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.311 -0.404 . . . . 21.219999999999999 110.765 -179.917 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.409 ' CD1' ' CD1' ' D' ' 77' ' ' LEU . 18.9 m-85 -52.5 -32.45 40.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.814 0.34 . . . . 27.329999999999998 110.575 179.714 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 14.8 ttmt -58.77 -35.12 72.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 25.699999999999999 110.577 179.74 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 7.9 ttpt -70.06 -29.06 65.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 28.59 110.731 179.777 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -71.27 -36.84 71.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 35.450000000000003 110.97 179.973 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.273 -0.87 . . . . 38.799999999999997 110.948 -179.968 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.485 1.314 0 CA-C-O 120.842 0.353 . . . . 45.829999999999998 111.216 . . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -108.86 24.4 13.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 39.380000000000003 110.872 179.927 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.26 -31.63 72.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.225 -0.443 . . . . 34.659999999999997 110.909 -179.915 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.08 -44.47 95.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.431 . . . . 31.399999999999999 110.942 179.881 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.34 -48.99 71.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.074 -0.512 . . . . 34.530000000000001 110.7 179.806 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 78.9 mtt180 -57.3 -34.24 68.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.106 -0.497 . . . . 30.379999999999999 110.761 179.91 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 17.2 mt -67.58 -59.4 3.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.079 -0.509 . . . . 23.09 110.994 -179.91 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -46.36 -34.75 4.83 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.941 -0.572 . . . . 21.93 111.11 179.967 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -62.33 -48.67 78.82 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.0 -0.545 . . . . 18.399999999999999 110.535 179.746 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 91.9 mt-10 -61.8 -33.38 74.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.1 -0.5 . . . . 13.279999999999999 110.556 179.739 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . 0.467 ' CB ' ' CD1' ' A' ' 74' ' ' LEU . 6.1 mm-40 -71.95 -49.54 36.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.112 -0.494 . . . . 11.289999999999999 110.549 179.707 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 1.3 m -52.05 -60.26 3.4 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.125 -0.489 . . . . 17.34 110.763 -179.969 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 26.4 pt-20 -51.08 -35.32 34.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 18.75 110.793 179.888 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.33 -41.16 81.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 11.52 110.697 179.776 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 17.6 t -64.55 -35.7 75.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.268 -0.424 . . . . 9.4199999999999999 111.107 179.923 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . 0.403 ' O ' ' N ' ' B' ' 71' ' ' PHE . 11.8 tttt -63.05 -53.11 58.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 14.9 110.922 -179.901 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.11 -30.68 64.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.896 0.379 . . . . 10.35 110.601 179.928 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 69' ' ' MET . . . . . . . . . . . . . 49.9 ttp -71.82 -53.99 11.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.04 -0.527 . . . . 10.84 110.805 179.86 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 61.0 t -74.55 -20.65 17.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 10.42 111.253 -179.974 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.403 ' N ' ' O ' ' B' ' 67' ' ' LYS . 21.9 t80 -65.21 -49.38 69.93 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.44 -0.345 . . . . 17.699999999999999 110.623 179.777 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -65.05 -41.2 95.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 23.739999999999998 110.65 179.737 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 73' ' ' THR . . . . . . . . . . . . . 96.0 m -58.19 -58.45 8.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 23.920000000000002 110.847 179.883 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 74' ' ' LEU . . . . . 0.415 ' CD1' ' HB2' ' A' ' 62' ' ' GLN . 30.0 mt -51.63 -42.08 61.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 26.920000000000002 110.934 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -50.46 -48.48 56.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.983 0.42 . . . . 29.079999999999998 110.786 179.864 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.57 -32.11 67.71 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.927 -0.578 . . . . 28.210000000000001 110.616 179.695 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . 0.435 ' CD1' ' CD1' ' C' ' 78' ' ' TYR . 20.3 mt -58.5 -39.67 80.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.015 -0.539 . . . . 29.030000000000001 110.734 179.916 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 26.5 m-85 -85.01 -42.78 14.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 34.130000000000003 110.716 179.81 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 31.6 ttpt -57.25 -46.02 83.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.046 -0.525 . . . . 43.039999999999999 110.945 179.963 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -57.72 -21.32 40.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 42.219999999999999 111.239 -179.995 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 4.5 t -158.93 94.36 1.22 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.384 -0.371 . . . . 40.450000000000003 110.915 179.875 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.283 -0.865 . . . . 46.280000000000001 110.867 -179.956 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 52' ' ' ARG . . . . . . . . . . . . . 11.0 mmt180 . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.842 0.353 . . . . 48.57 111.154 . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' C' C ' 53' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -104.76 24.02 12.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 37.350000000000001 111.07 -179.912 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.44 -33.96 36.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.352 -0.385 . . . . 38.619999999999997 110.775 179.89 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.26 -49.07 70.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.257 -0.429 . . . . 30.829999999999998 110.572 179.702 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -63.36 -43.91 96.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.068 -0.514 . . . . 28.09 110.32 179.506 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 57' ' ' ARG . . . . . . . . . . . . . 42.6 ttm-85 -67.9 -42.73 80.7 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.852 -0.613 . . . . 26.870000000000001 110.326 179.472 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 12.1 mt -57.82 -48.55 79.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.805 -0.634 . . . . 29.07 110.648 179.552 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.94 -41.38 61.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.026 -0.534 . . . . 25.420000000000002 110.874 179.887 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -72.82 -31.4 64.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.123 -0.489 . . . . 26.690000000000001 110.571 179.84 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.97 -51.82 29.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 27.039999999999999 110.686 179.778 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 47.6 mm-40 -58.14 -44.48 87.84 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.95 -0.568 . . . . 19.82 110.748 179.795 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 63' ' ' SER . . . . . . . . . . . . . 3.3 p -63.02 -35.35 79.93 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.008 -0.542 . . . . 16.07 110.702 179.91 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -57.52 -41.95 81.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 18.43 110.81 179.857 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 65' ' ' LEU . . . . . . . . . . . . . 2.1 mt -64.47 -39.08 93.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 18.140000000000001 110.619 179.784 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 66' ' ' VAL . . . . . . . . . . . . . 50.9 t -69.5 -45.87 77.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 10.09 110.967 179.842 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 67' ' ' LYS . . . . . . . . . . . . . 17.2 tttm -59.28 -57.93 10.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.213 -0.449 . . . . 19.77 110.416 179.626 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.54 -31.46 64.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 20.719999999999999 110.277 179.489 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' C' C ' 69' ' ' MET . . . . . . . . . . . . . 13.6 tmm? -69.37 -42.62 74.94 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.994 -0.548 . . . . 9.0899999999999999 110.528 179.52 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 43.4 t -69.58 -33.03 54.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.918 -0.583 . . . . 5.9299999999999997 110.612 179.68 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 71' ' ' PHE . . . . . 0.423 ' O ' ' CB ' ' C' ' 75' ' ' LYS . 10.7 t80 -55.22 -58.36 8.0 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.198 -0.455 . . . . 18.82 110.321 179.701 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -52.5 -50.99 61.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 10.039999999999999 110.664 179.82 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 73' ' ' THR . . . . . . . . . . . . . 18.9 m -57.03 -71.13 0.1 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.373 -0.376 . . . . 12.15 110.297 179.708 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 74' ' ' LEU . . . . . 0.484 ' CD1' ' CB ' ' D' ' 62' ' ' GLN . 12.5 mt -49.56 -37.78 28.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.121 -0.491 . . . . 19.18 111.083 179.964 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' C' C ' 75' ' ' LYS . . . . . 0.423 ' CB ' ' O ' ' C' ' 71' ' ' PHE . 2.9 ttpt -54.71 -68.87 0.15 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.126 0.489 . . . . 21.039999999999999 110.354 179.473 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' C' C ' 76' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.16 -25.11 67.57 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.581 -0.736 . . . . 16.09 111.041 179.798 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -71.67 -65.55 0.74 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.262 -0.426 . . . . 20.190000000000001 110.782 -179.895 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' C' C ' 78' ' ' TYR . . . . . 0.435 ' CD1' ' CD1' ' B' ' 77' ' ' LEU . 19.0 m-85 -52.66 -32.36 41.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.428 -0.351 . . . . 25.829999999999998 110.586 179.777 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 14.8 ttmt -58.59 -35.24 72.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 27.440000000000001 110.61 179.635 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 7.9 ttpt -70.03 -28.93 65.88 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.21 -0.45 . . . . 30.359999999999999 110.894 179.79 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -71.41 -36.88 71.5 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.12 -0.491 . . . . 34.700000000000003 110.965 179.873 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' C' C ' 82' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.201 -0.904 . . . . 42.159999999999997 110.924 179.987 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' D' D ' 52' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.485 1.325 0 CA-C-O 120.821 0.343 . . . . 43.549999999999997 111.186 . . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' D' D ' 53' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -108.98 24.65 12.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.215 -0.448 . . . . 41.380000000000003 110.859 179.973 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.47 -31.56 72.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.25 -0.432 . . . . 34.909999999999997 110.866 -179.945 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' D' D ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.18 -44.45 95.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.23 -0.441 . . . . 34.759999999999998 110.883 179.959 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.25 -48.99 71.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 31.670000000000002 110.739 179.729 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' D' D ' 57' ' ' ARG . . . . . . . . . . . . . 78.9 mtt180 -57.4 -34.01 68.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.125 -0.489 . . . . 26.859999999999999 110.818 179.927 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' D' D ' 58' ' ' LEU . . . . . . . . . . . . . 17.4 mt -67.79 -59.8 3.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.101 -0.5 . . . . 19.68 110.919 -179.923 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' D' D ' 59' ' ' ALA . . . . . . . . . . . . . . . -45.97 -34.79 4.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.994 -0.548 . . . . 18.16 111.068 179.901 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' D' D ' 60' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -62.44 -48.5 79.39 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.051 -0.522 . . . . 22.670000000000002 110.601 179.792 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' D' D ' 61' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -61.87 -33.35 74.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 16.960000000000001 110.604 179.647 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' D' D ' 62' ' ' GLN . . . . . 0.484 ' CB ' ' CD1' ' C' ' 74' ' ' LEU . 5.4 mm-40 -72.23 -49.01 38.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.042 -0.526 . . . . 15.710000000000001 110.697 179.654 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' D' D ' 63' ' ' SER . . . . . . . . . . . . . 1.3 m -52.4 -60.04 3.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.187 -0.461 . . . . 14.26 110.689 179.979 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' D' D ' 64' ' ' GLU . . . . . . . . . . . . . 26.4 pt-20 -51.06 -35.46 34.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 8.8100000000000005 110.802 179.81 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' D' D ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.28 -41.36 81.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.055 -0.521 . . . . 7.2000000000000002 110.72 179.75 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' D' D ' 66' ' ' VAL . . . . . . . . . . . . . 18.5 t -64.48 -35.33 74.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.256 -0.429 . . . . 8.4299999999999997 111.133 179.887 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' D' D ' 67' ' ' LYS . . . . . . . . . . . . . 11.9 tttt -63.33 -53.25 55.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 18.050000000000001 110.94 -179.939 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' D' D ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.15 -30.41 64.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.356 -0.384 . . . . 18.600000000000001 110.626 179.926 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' D' D ' 69' ' ' MET . . . . . . . . . . . . . 50.9 ttp -72.05 -53.95 11.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.059 -0.519 . . . . 12.85 110.835 179.865 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' D' D ' 70' ' ' VAL . . . . . . . . . . . . . 62.1 t -74.7 -20.36 16.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.283 -0.417 . . . . 15.35 111.235 179.965 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 21.7 t80 -65.29 -49.3 70.03 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.907 0.384 . . . . 26.399999999999999 110.621 179.667 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -65.14 -41.09 95.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.135 -0.484 . . . . 28.800000000000001 110.71 179.784 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' D' D ' 73' ' ' THR . . . . . . . . . . . . . 96.2 m -58.29 -58.57 7.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.042 -0.526 . . . . 21.530000000000001 110.813 179.801 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' D' D ' 74' ' ' LEU . . . . . . . . . . . . . 30.2 mt -51.51 -42.07 61.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.479 . . . . 21.129999999999999 110.932 -180.0 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' D' D ' 75' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -50.54 -48.4 57.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.264 -0.426 . . . . 27.390000000000001 110.706 179.915 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' D' D ' 76' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.7 -32.03 67.39 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.975 -0.557 . . . . 31.07 110.643 179.8 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' D' D ' 77' ' ' LEU . . . . . 0.409 ' CD1' ' CD1' ' A' ' 78' ' ' TYR . 20.6 mt -58.54 -39.68 80.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.044 -0.525 . . . . 30.600000000000001 110.719 179.873 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' D' D ' 78' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 -84.91 -42.79 14.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.099 -0.5 . . . . 33.640000000000001 110.672 179.849 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' D' D ' 79' ' ' LYS . . . . . . . . . . . . . 31.8 ttpt -57.34 -45.87 83.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.022 -0.535 . . . . 40.82 110.947 179.995 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' D' D ' 80' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -57.79 -21.4 41.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 40.200000000000003 111.153 -179.951 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' D' D ' 81' ' ' THR . . . . . . . . . . . . . 4.5 t -158.96 94.39 1.22 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.878 0.37 . . . . 42.219999999999999 110.881 179.896 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' D' D ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.253 -0.879 . . . . 47.270000000000003 110.96 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.182 0 CA-C-O 120.841 0.353 . . . . 33.649999999999999 110.668 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -64.05 -55.25 23.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.042 -0.526 . . . . 29.16 110.598 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.58 -43.72 75.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.901 -0.591 . . . . 34.439999999999998 110.339 179.522 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.639 ' C ' HD13 ' A' ' 58' ' ' LEU . 2.1 tm? -60.09 -46.82 88.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.817 -0.629 . . . . 25.07 110.687 179.622 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.25 -39.0 74.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.102 -0.499 . . . . 20.399999999999999 111.021 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -57.51 -41.34 80.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.491 . . . . 20.280000000000001 110.811 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.3 -63.46 1.3 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.49 . . . . 22.079999999999998 110.945 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 9.4 mp0 -50.24 -45.52 54.14 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.984 -0.553 . . . . 25.079999999999998 110.876 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 55.5 p -60.03 -40.73 90.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 17.300000000000001 110.745 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.418 ' O ' ' HG2' ' A' ' 67' ' ' LYS . 0.6 OUTLIER -66.39 -27.47 67.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.305 -0.407 . . . . 25.629999999999999 110.735 179.811 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 83.8 mt -71.96 -36.56 69.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.276 -0.42 . . . . 17.289999999999999 110.424 179.709 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 60.4 t -74.66 -44.17 46.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.931 -0.577 . . . . 14.98 111.159 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.418 ' HG2' ' O ' ' A' ' 64' ' ' GLU . 14.3 ptmt -58.9 -41.54 87.45 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.87 0.367 . . . . 12.789999999999999 110.587 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.55 -40.59 93.02 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.138 -0.483 . . . . 12.07 110.213 179.488 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 12.1 tmm? -62.88 -47.03 85.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.874 -0.603 . . . . 8.1400000000000006 110.414 179.585 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.4 HG13 ' HG ' ' A' ' 74' ' ' LEU . 56.1 t -59.47 -39.66 79.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.158 -0.474 . . . . 9.0999999999999996 110.5 179.628 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.472 ' CE2' ' HE2' ' A' ' 75' ' ' LYS . 24.8 t80 -53.07 -57.37 10.62 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.19 -0.459 . . . . 12.109999999999999 110.187 179.529 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 38.8 m-20 -52.8 -50.86 62.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.145 -0.48 . . . . 11.41 110.739 179.719 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.6 m -59.85 -69.62 0.2 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.293 -0.412 . . . . 12.380000000000001 110.342 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.728 HD12 ' HB2' ' B' ' 62' ' ' GLN . 13.0 mt -49.67 -36.8 26.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 14.130000000000001 111.259 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.472 ' HE2' ' CE2' ' A' ' 71' ' ' PHE . 7.4 ttpt -53.62 -69.34 0.12 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.025 0.44 . . . . 13.41 110.284 179.657 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -61.26 -32.25 72.06 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.741 -0.663 . . . . 16.800000000000001 111.169 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.734 ' O ' HD12 ' A' ' 77' ' ' LEU . 2.2 tp -67.24 -41.32 85.85 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.475 -0.33 . . . . 21.199999999999999 110.766 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.735 ' CZ ' HG21 ' D' ' 73' ' ' THR . 16.6 m-30 -75.0 -18.61 60.34 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.275 -0.421 . . . . 24.449999999999999 110.804 179.494 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.44 -32.11 58.25 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.436 -0.347 . . . . 25.629999999999999 110.65 179.534 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 2.3 ttpp -58.4 -30.82 67.13 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.389 -0.369 . . . . 27.48 110.891 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.574 ' OG1' HD22 ' D' ' 77' ' ' LEU . 44.4 p . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.235 -0.439 . . . . 32.909999999999997 110.775 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.817 0.341 . . . . 34.640000000000001 111.156 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.4 -33.34 63.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.425 . . . . 30.870000000000001 111.109 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -76.74 -58.5 3.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 32.240000000000002 110.894 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 46.9 mtp85 -50.89 -29.16 11.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 27.539999999999999 110.657 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 58' ' ' LEU . . . . . 0.74 HD22 HG23 ' D' ' 73' ' ' THR . 20.1 mt -70.59 -62.72 1.28 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.116 -0.493 . . . . 22.390000000000001 110.438 179.536 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -45.78 -29.3 1.27 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.832 -0.622 . . . . 19.210000000000001 111.148 179.753 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -71.49 -43.58 66.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.035 -0.529 . . . . 16.870000000000001 110.572 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 61' ' ' GLU . . . . . 0.524 ' O ' HD12 ' B' ' 65' ' ' LEU . 17.6 mm-40 -65.51 -32.14 73.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.491 . . . . 11.16 110.685 179.785 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 62' ' ' GLN . . . . . 0.728 ' HB2' HD12 ' A' ' 74' ' ' LEU . 3.4 mm-40 -72.55 -47.15 50.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 11.18 110.599 179.818 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.81 -61.25 2.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.259 -0.428 . . . . 16.539999999999999 110.566 179.752 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -50.58 -39.23 49.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.992 0.425 . . . . 17.32 110.5 179.565 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 65' ' ' LEU . . . . . 0.524 HD12 ' O ' ' B' ' 61' ' ' GLU . 0.2 OUTLIER -65.01 -46.87 79.56 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.969 -0.56 . . . . 10.109999999999999 110.574 179.634 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 66' ' ' VAL . . . . . 0.655 HG23 ' O ' ' B' ' 62' ' ' GLN . 25.6 t -68.95 -33.56 59.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.217 -0.447 . . . . 8.3499999999999996 110.831 179.643 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.58 -59.19 5.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.087 -0.506 . . . . 15.779999999999999 110.687 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 8.5 mttt -53.02 -32.88 49.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.268 -0.424 . . . . 8.7799999999999994 110.734 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 69' ' ' MET . . . . . 0.433 ' CE ' ' HB3' ' D' ' 62' ' ' GLN . 29.0 ttp -70.56 -51.13 30.56 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.058 -0.519 . . . . 10.9 110.804 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.401 HG23 ' O ' ' B' ' 66' ' ' VAL . 61.8 t -72.39 -25.28 22.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.132 -0.486 . . . . 10.960000000000001 111.066 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 14.8 t80 -60.5 -48.05 83.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 18.079999999999998 110.777 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -66.01 -41.78 90.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.068 -0.514 . . . . 24.02 110.728 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 73' ' ' THR . . . . . 0.779 HG23 HD22 ' D' ' 58' ' ' LEU . 73.8 m -52.47 -58.3 7.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.105 -0.498 . . . . 22.469999999999999 110.772 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 74' ' ' LEU . . . . . 0.69 HD23 HD12 ' B' ' 77' ' ' LEU . 86.6 mt -50.68 -38.8 48.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 26.890000000000001 110.847 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 2.2 ttpt -53.65 -51.3 63.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.983 0.421 . . . . 29.75 110.49 179.714 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -68.58 -35.48 77.43 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.902 -0.59 . . . . 28.640000000000001 110.677 179.617 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.69 HD12 HD23 ' B' ' 74' ' ' LEU . 17.2 mt -55.64 -45.21 77.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.112 -0.495 . . . . 28.18 110.825 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 78' ' ' TYR . . . . . 0.578 ' CE1' HG22 ' C' ' 81' ' ' THR . 11.7 m-85 -78.78 -30.25 45.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.079 -0.51 . . . . 34.530000000000001 110.689 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.083 -0.508 . . . . 41.57 110.781 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.133 0 CA-C-O 120.814 0.34 . . . . 30.359999999999999 110.627 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -64.25 -55.23 22.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.106 -0.497 . . . . 28.239999999999998 110.549 179.679 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.5 -43.61 76.46 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.976 -0.556 . . . . 28.739999999999998 110.342 179.548 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 58' ' ' LEU . . . . . 0.636 ' C ' HD13 ' C' ' 58' ' ' LEU . 2.1 tm? -60.33 -46.66 89.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.802 -0.636 . . . . 29.59 110.669 179.661 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.18 -39.3 75.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 25.050000000000001 110.964 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -57.29 -41.37 79.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.128 -0.487 . . . . 25.469999999999999 110.787 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.36 -63.42 1.31 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 25.41 110.918 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 9.3 mp0 -50.07 -45.85 52.78 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.063 -0.517 . . . . 19.050000000000001 110.827 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 63' ' ' SER . . . . . . . . . . . . . 57.2 p -59.73 -40.66 88.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.105 -0.498 . . . . 16.32 110.814 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 64' ' ' GLU . . . . . 0.416 ' O ' ' HG2' ' C' ' 67' ' ' LYS . 0.6 OUTLIER -66.55 -27.26 67.61 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.198 -0.455 . . . . 18.219999999999999 110.77 179.86 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' C' C ' 65' ' ' LEU . . . . . . . . . . . . . 83.8 mt -72.18 -36.44 69.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 17.890000000000001 110.398 179.729 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 66' ' ' VAL . . . . . . . . . . . . . 60.4 t -74.75 -44.15 46.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.913 -0.585 . . . . 10.01 111.084 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 67' ' ' LYS . . . . . 0.416 ' HG2' ' O ' ' C' ' 64' ' ' GLU . 14.2 ptmt -58.92 -41.63 87.75 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.319 -0.401 . . . . 15.65 110.55 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.58 -40.49 92.79 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.175 -0.466 . . . . 20.859999999999999 110.254 179.511 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 69' ' ' MET . . . . . . . . . . . . . 12.1 tmm? -63.02 -46.64 86.67 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.871 -0.604 . . . . 9.3699999999999992 110.49 179.592 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 70' ' ' VAL . . . . . 0.409 HG13 ' HG ' ' C' ' 74' ' ' LEU . 56.1 t -59.81 -39.78 80.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.214 -0.448 . . . . 6.7599999999999998 110.445 179.678 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 71' ' ' PHE . . . . . 0.463 ' CE2' ' HE2' ' C' ' 75' ' ' LYS . 24.9 t80 -52.7 -57.6 9.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 18.23 110.255 179.455 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 38.4 m-20 -52.73 -50.92 62.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.1 -0.5 . . . . 11.949999999999999 110.679 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 73' ' ' THR . . . . . . . . . . . . . 18.4 m -59.82 -69.25 0.22 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.349 -0.387 . . . . 10.619999999999999 110.332 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 74' ' ' LEU . . . . . 0.718 HD12 ' HB2' ' D' ' 62' ' ' GLN . 12.8 mt -50.08 -36.49 29.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 17.82 111.134 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 75' ' ' LYS . . . . . 0.463 ' HE2' ' CE2' ' C' ' 71' ' ' PHE . 7.3 ttpt -53.94 -69.52 0.12 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.048 0.451 . . . . 19.469999999999999 110.335 179.629 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 76' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -60.92 -32.34 71.84 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.713 -0.676 . . . . 16.289999999999999 111.077 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 77' ' ' LEU . . . . . 0.733 ' O ' HD12 ' C' ' 77' ' ' LEU . 2.2 tp -67.23 -41.39 85.77 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.463 -0.335 . . . . 19.27 110.807 -179.798 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 78' ' ' TYR . . . . . 0.718 ' CZ ' HG21 ' B' ' 73' ' ' THR . 16.7 m-30 -75.02 -18.39 60.35 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.349 -0.387 . . . . 26.030000000000001 110.803 179.542 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.57 -32.18 58.0 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.418 -0.355 . . . . 27.07 110.593 179.593 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 2.3 ttpp -58.54 -30.64 67.27 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.344 -0.389 . . . . 30.870000000000001 110.834 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 81' ' ' THR . . . . . 0.578 HG22 ' CE1' ' B' ' 78' ' ' TYR . 44.6 p . . . . . 0 C--N 1.33 -0.267 0 CA-C-O 120.939 0.4 . . . . 34.530000000000001 110.785 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 . . . . . 0 C--O 1.23 0.047 0 CA-C-O 120.845 0.355 . . . . 33.609999999999999 111.152 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' D' D ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.67 -33.26 63.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 32.390000000000001 111.086 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -76.79 -58.31 3.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 31.600000000000001 110.861 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 57' ' ' ARG . . . . . . . . . . . . . 46.9 mtp85 -51.17 -29.06 12.7 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.272 -0.422 . . . . 23.34 110.621 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 58' ' ' LEU . . . . . 0.779 HD22 HG23 ' B' ' 73' ' ' THR . 20.2 mt -70.63 -62.75 1.27 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.104 -0.498 . . . . 18.91 110.488 179.537 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 59' ' ' ALA . . . . . . . . . . . . . . . -45.65 -29.41 1.23 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.791 -0.64 . . . . 19.149999999999999 111.168 179.689 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 60' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -71.48 -43.68 66.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.945 -0.571 . . . . 24.010000000000002 110.574 179.769 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 61' ' ' GLU . . . . . 0.515 ' O ' HD12 ' D' ' 65' ' ' LEU . 17.6 mm-40 -65.52 -31.96 73.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 17.399999999999999 110.68 179.818 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 62' ' ' GLN . . . . . 0.718 ' HB2' HD12 ' C' ' 74' ' ' LEU . 3.5 mm-40 -72.61 -47.18 49.9 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.234 -0.439 . . . . 14.76 110.619 179.796 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 63' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.72 -61.11 2.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.294 -0.412 . . . . 13.02 110.587 179.713 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 64' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -50.7 -39.45 51.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.446 . . . . 8.2699999999999996 110.497 179.573 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 65' ' ' LEU . . . . . 0.515 HD12 ' O ' ' D' ' 61' ' ' GLU . 0.2 OUTLIER -64.78 -46.98 79.79 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.837 -0.62 . . . . 5.5899999999999999 110.538 179.629 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' D' D ' 66' ' ' VAL . . . . . 0.665 HG23 ' O ' ' D' ' 62' ' ' GLN . 25.4 t -69.0 -33.11 57.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.239 -0.437 . . . . 5.8399999999999999 110.917 179.673 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 67' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.05 -58.51 7.56 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.127 -0.488 . . . . 11.960000000000001 110.784 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 68' ' ' LYS . . . . . . . . . . . . . 8.5 mttt -53.61 -32.98 53.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 19.719999999999999 110.674 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 69' ' ' MET . . . . . 0.431 ' CE ' ' HB3' ' B' ' 62' ' ' GLN . 29.1 ttp -70.14 -51.54 30.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.992 -0.549 . . . . 12.99 110.827 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 70' ' ' VAL . . . . . . . . . . . . . 62.3 t -72.2 -25.13 23.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.031 -0.532 . . . . 15.140000000000001 111.073 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 14.5 t80 -60.64 -48.03 83.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 24.609999999999999 110.717 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -65.9 -41.77 91.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 28.780000000000001 110.78 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 73' ' ' THR . . . . . 0.74 HG23 HD22 ' B' ' 58' ' ' LEU . 76.4 m -52.5 -58.29 7.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 22.34 110.767 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 74' ' ' LEU . . . . . 0.7 HD23 HD12 ' D' ' 77' ' ' LEU . 85.6 mt -50.6 -39.03 48.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.489 . . . . 20.760000000000002 110.845 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 75' ' ' LYS . . . . . . . . . . . . . 2.1 ttpt -53.57 -51.02 64.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 25.870000000000001 110.519 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 76' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -68.83 -35.51 77.05 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.904 -0.589 . . . . 30.829999999999998 110.655 179.7 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 77' ' ' LEU . . . . . 0.7 HD12 HD23 ' D' ' 74' ' ' LEU . 17.3 mt -55.64 -45.28 77.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.043 -0.526 . . . . 30.149999999999999 110.826 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 78' ' ' TYR . . . . . 0.507 ' CE1' HG22 ' A' ' 81' ' ' THR . 11.8 m-85 -78.82 -30.04 45.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.024 -0.535 . . . . 31.699999999999999 110.664 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.068 -0.515 . . . . 40.82 110.705 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.103 0 CA-C-O 120.812 0.339 . . . . 35.740000000000002 110.792 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -65.96 -52.9 45.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 30.899999999999999 110.529 179.653 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 24.8 mtm180 -62.07 -44.7 96.1 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.941 -0.572 . . . . 38.789999999999999 110.341 179.39 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.431 HD23 ' HA ' ' A' ' 58' ' ' LEU . 14.9 mt -55.7 -53.32 58.08 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.883 -0.599 . . . . 29.34 110.663 179.652 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -50.18 -32.34 16.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 21.27 110.908 179.77 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -81.19 -29.45 34.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.478 . . . . 18.699999999999999 110.617 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -77.46 -49.09 15.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.086 -0.506 . . . . 20.510000000000002 110.629 179.656 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.485 ' HA ' HD12 ' A' ' 65' ' ' LEU . 54.8 mm-40 -63.16 -39.49 94.82 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.847 -0.615 . . . . 23.550000000000001 110.462 179.655 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 55.6 p -66.6 -36.37 82.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.031 -0.532 . . . . 18.920000000000002 110.39 179.616 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -57.27 -43.97 83.56 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.08 -0.509 . . . . 26.539999999999999 110.446 179.724 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.485 HD12 ' HA ' ' A' ' 62' ' ' GLN . 1.5 mt -59.5 -41.13 89.17 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.076 -0.511 . . . . 19.32 110.31 179.558 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 61.7 t -69.49 -49.57 58.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.974 -0.557 . . . . 14.81 110.733 179.507 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.9 tttt -61.32 -41.39 96.94 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.236 -0.438 . . . . 8.1899999999999995 110.35 179.533 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 32.7 ttpt -64.8 -36.66 85.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.033 -0.53 . . . . 14.609999999999999 110.364 179.606 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 24.0 ttp -65.53 -39.58 91.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.992 -0.549 . . . . 8.3599999999999994 110.502 179.663 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 70.3 t -68.1 -45.28 83.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.084 -0.507 . . . . 9.5099999999999998 110.826 179.728 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.427 ' O ' ' CB ' ' A' ' 75' ' ' LYS . 73.3 t80 -51.15 -62.79 1.4 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.493 -0.321 . . . . 16.739999999999998 110.429 179.808 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -50.55 -39.09 48.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.281 -0.418 . . . . 12.9 110.537 179.558 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.6 m -68.39 -73.81 0.14 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.065 -0.516 . . . . 9.9499999999999993 110.358 179.601 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.746 HD12 ' HB2' ' B' ' 62' ' ' GLN . 19.0 mt -49.04 -34.54 13.67 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.061 -0.518 . . . . 13.109999999999999 111.045 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.427 ' CB ' ' O ' ' A' ' 71' ' ' PHE . 6.9 tttt -54.58 -68.9 0.15 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.031 -0.532 . . . . 15.65 110.071 179.369 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -63.49 -29.56 70.82 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.592 -0.731 . . . . 18.539999999999999 110.883 179.674 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.602 ' C ' HD12 ' A' ' 77' ' ' LEU . 0.6 OUTLIER -65.96 -65.65 0.65 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.273 -0.421 . . . . 21.539999999999999 110.586 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.463 ' OH ' HG13 ' D' ' 70' ' ' VAL . 22.6 m-30 -53.92 -27.06 28.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.419 -0.355 . . . . 27.07 110.855 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 12.7 mttt -67.69 -31.18 70.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 24.489999999999998 110.957 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -75.03 -27.81 60.22 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.148 -0.478 . . . . 29.52 110.957 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.031 -0.532 . . . . 33.93 111.092 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.629 0.252 . . . . 33.18 111.068 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.55 -46.98 77.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.83 0.348 . . . . 29.41 110.936 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -62.1 -53.13 59.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 33.039999999999999 110.61 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.25 -36.53 61.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 25.670000000000002 110.762 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 58' ' ' LEU . . . . . 0.8 HD22 HG23 ' D' ' 73' ' ' THR . 4.5 mt -63.99 -58.72 5.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.974 -0.557 . . . . 22.469999999999999 110.883 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 59' ' ' ALA . . . . . 0.43 ' HB1' ' HB2' ' A' ' 74' ' ' LEU . . . -46.5 -37.14 7.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.908 -0.587 . . . . 20.309999999999999 110.875 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -58.96 -48.33 81.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.939 -0.573 . . . . 21.149999999999999 110.683 179.64 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 61' ' ' GLU . . . . . 0.407 ' O ' ' HG2' ' B' ' 64' ' ' GLU . 27.5 mt-10 -60.59 -36.51 78.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 14.550000000000001 110.273 179.649 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 62' ' ' GLN . . . . . 0.746 ' HB2' HD12 ' A' ' 74' ' ' LEU . 7.9 mm-40 -68.39 -51.75 40.61 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.892 -0.594 . . . . 10.359999999999999 110.432 179.486 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -50.2 -65.3 0.58 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.022 -0.535 . . . . 16.140000000000001 110.953 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 64' ' ' GLU . . . . . 0.407 ' HG2' ' O ' ' B' ' 61' ' ' GLU . 13.2 pt-20 -46.91 -32.61 3.93 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.867 0.365 . . . . 15.81 111.004 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.32 -41.29 81.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.049 -0.523 . . . . 10.23 110.674 179.525 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 66' ' ' VAL . . . . . 0.484 HG23 ' O ' ' B' ' 62' ' ' GLN . 36.4 t -66.61 -38.28 81.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.102 -0.499 . . . . 7.75 111.261 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 67' ' ' LYS . . . . . 0.4 ' O ' ' N ' ' B' ' 71' ' ' PHE . 2.3 tttt -58.09 -51.86 67.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 10.470000000000001 111.139 -179.841 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 77.3 tttt -58.78 -32.15 69.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.409 -0.36 . . . . 11.06 110.911 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 69' ' ' MET . . . . . 0.435 ' CE ' ' HB3' ' D' ' 62' ' ' GLN . 23.1 ttp -71.37 -49.61 40.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 11.17 110.85 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.584 HG13 ' OH ' ' C' ' 78' ' ' TYR . 53.1 t -76.94 -24.36 15.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.121 -0.491 . . . . 10.93 111.105 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.4 ' N ' ' O ' ' B' ' 67' ' ' LYS . 32.2 t80 -60.68 -52.08 66.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.255 -0.429 . . . . 17.48 110.647 179.771 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.27 -40.28 93.72 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.153 -0.476 . . . . 24.809999999999999 110.587 179.661 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 73' ' ' THR . . . . . 0.792 HG23 HD22 ' D' ' 58' ' ' LEU . 60.3 m -55.82 -55.23 34.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 24.469999999999999 110.684 179.683 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 74' ' ' LEU . . . . . 0.405 ' HA ' ' HB2' ' B' ' 77' ' ' LEU . 13.6 mt -58.1 -42.01 84.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.164 -0.471 . . . . 26.399999999999999 110.882 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 3.4 ttpt -49.61 -41.41 42.14 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.255 -0.43 . . . . 26.859999999999999 110.628 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -77.71 -31.46 52.32 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.937 -0.574 . . . . 27.559999999999999 110.481 179.608 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.405 ' HB2' ' HA ' ' B' ' 74' ' ' LEU . 18.4 mt -63.87 -41.6 97.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.981 -0.554 . . . . 28.120000000000001 110.843 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 78' ' ' TYR . . . . . 0.417 ' CE1' HG22 ' C' ' 81' ' ' THR . 15.0 m-85 -84.16 -39.33 19.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 32.859999999999999 110.87 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 11.2 tttm . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.022 -0.535 . . . . 42.829999999999998 110.891 179.909 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.096 0 CA-C-O 120.825 0.345 . . . . 30.09 110.722 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -65.58 -52.86 48.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 28.210000000000001 110.492 179.757 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 57' ' ' ARG . . . . . . . . . . . . . 24.6 mtm180 -62.27 -44.64 96.07 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.939 -0.573 . . . . 25.870000000000001 110.315 179.539 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 58' ' ' LEU . . . . . 0.451 HD23 ' HA ' ' C' ' 58' ' ' LEU . 15.1 mt -55.67 -53.48 56.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.843 -0.617 . . . . 26.510000000000002 110.598 179.536 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -50.0 -32.42 15.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 23.699999999999999 110.878 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -81.18 -29.29 34.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 25.75 110.673 179.742 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -77.71 -48.98 15.4 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.06 -0.518 . . . . 27.57 110.641 179.725 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 62' ' ' GLN . . . . . 0.506 ' HA ' HD12 ' C' ' 65' ' ' LEU . 54.6 mm-40 -63.21 -39.55 94.95 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.83 -0.623 . . . . 20.07 110.491 179.609 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 63' ' ' SER . . . . . . . . . . . . . 55.6 p -66.38 -36.72 83.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.036 -0.529 . . . . 15.949999999999999 110.347 179.54 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -56.98 -44.28 82.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.077 -0.51 . . . . 18.460000000000001 110.474 179.68 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 65' ' ' LEU . . . . . 0.506 HD12 ' HA ' ' C' ' 62' ' ' GLN . 1.5 mt -59.19 -41.07 87.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.079 -0.51 . . . . 15.77 110.305 179.534 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 66' ' ' VAL . . . . . . . . . . . . . 61.9 t -69.72 -49.45 57.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.02 -0.537 . . . . 10.050000000000001 110.735 179.617 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 67' ' ' LYS . . . . . 0.439 ' CG ' ' HB2' ' D' ' 63' ' ' SER . 13.9 tttt -61.37 -41.34 96.93 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.193 -0.458 . . . . 18.969999999999999 110.291 179.556 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 68' ' ' LYS . . . . . . . . . . . . . 32.7 ttpt -64.77 -36.87 85.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.048 -0.524 . . . . 20.719999999999999 110.375 179.542 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 69' ' ' MET . . . . . . . . . . . . . 23.7 ttp -65.37 -39.42 92.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.038 -0.528 . . . . 7.8399999999999999 110.477 179.649 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 63.2 t -68.32 -45.07 83.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.082 -0.508 . . . . 4.4100000000000001 110.784 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 71' ' ' PHE . . . . . 0.433 ' O ' ' CB ' ' C' ' 75' ' ' LYS . 73.7 t80 -51.45 -62.65 1.49 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.444 -0.344 . . . . 13.6 110.538 179.707 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -50.74 -39.03 50.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 7.0300000000000002 110.566 179.565 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 73' ' ' THR . . . . . . . . . . . . . 18.9 m -68.47 -73.94 0.13 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.957 -0.565 . . . . 13.18 110.32 179.574 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 74' ' ' LEU . . . . . 0.666 HD12 ' HB2' ' D' ' 62' ' ' GLN . 19.1 mt -48.72 -34.83 12.77 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.188 -0.46 . . . . 18.75 111.023 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 75' ' ' LYS . . . . . 0.433 ' CB ' ' O ' ' C' ' 71' ' ' PHE . 6.9 tttt -54.4 -68.91 0.15 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.029 -0.532 . . . . 21.25 110.169 179.341 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 76' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -63.62 -29.44 70.68 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.681 -0.69 . . . . 14.52 110.826 179.677 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 77' ' ' LEU . . . . . 0.614 ' C ' HD12 ' C' ' 77' ' ' LEU . 0.6 OUTLIER -66.04 -65.65 0.65 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.295 -0.411 . . . . 19.16 110.586 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' C' C ' 78' ' ' TYR . . . . . 0.584 ' OH ' HG13 ' B' ' 70' ' ' VAL . 22.7 m-30 -53.93 -27.26 29.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.38 -0.373 . . . . 25.07 110.767 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 12.7 mttt -67.41 -31.43 71.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 26.41 110.936 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -74.87 -27.77 60.39 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.201 -0.454 . . . . 28.82 110.975 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 81' ' ' THR . . . . . 0.417 HG22 ' CE1' ' B' ' 78' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.231 0 CA-C-N 116.148 -0.478 . . . . 33.460000000000001 111.172 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.646 0.26 . . . . 35.25 111.04 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' D' D ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.45 -47.07 76.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.828 0.346 . . . . 33.909999999999997 110.977 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -62.09 -53.01 61.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 30.350000000000001 110.707 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 57' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.18 -36.62 61.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.49 . . . . 24.489999999999998 110.74 179.651 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 58' ' ' LEU . . . . . 0.792 HD22 HG23 ' B' ' 73' ' ' THR . 4.7 mt -63.99 -58.41 6.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.043 -0.526 . . . . 19.350000000000001 110.884 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 59' ' ' ALA . . . . . . . . . . . . . . . -47.45 -35.25 8.31 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.974 -0.557 . . . . 17.77 110.939 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 60' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -60.6 -47.45 86.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.007 -0.542 . . . . 23.18 110.462 179.608 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 61' ' ' GLU . . . . . 0.401 ' O ' ' HG2' ' D' ' 64' ' ' GLU . 27.7 mt-10 -61.48 -36.93 81.83 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.155 -0.475 . . . . 16.09 110.353 179.523 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 62' ' ' GLN . . . . . 0.666 ' HB2' HD12 ' C' ' 74' ' ' LEU . 7.7 mm-40 -67.88 -49.72 60.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.007 -0.542 . . . . 15.34 110.347 179.415 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 63' ' ' SER . . . . . 0.439 ' HB2' ' CG ' ' C' ' 67' ' ' LYS . 0.2 OUTLIER -50.96 -67.43 0.25 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.885 -0.598 . . . . 13.09 110.959 179.874 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' D' D ' 64' ' ' GLU . . . . . 0.401 ' HG2' ' O ' ' D' ' 61' ' ' GLU . 13.2 pt-20 -45.77 -32.26 2.43 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.148 -0.478 . . . . 12.17 111.002 -179.817 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.77 -41.69 78.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 5.79 110.547 179.579 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 66' ' ' VAL . . . . . 0.53 HG23 ' O ' ' D' ' 62' ' ' GLN . 35.0 t -66.44 -38.2 81.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.127 -0.488 . . . . 7.2000000000000002 111.303 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 67' ' ' LYS . . . . . . . . . . . . . 2.4 tttt -58.14 -51.88 67.88 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.235 -0.439 . . . . 18.940000000000001 111.051 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 68' ' ' LYS . . . . . . . . . . . . . 77.2 tttt -58.71 -32.12 68.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.37 -0.377 . . . . 17.550000000000001 110.84 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 69' ' ' MET . . . . . 0.413 ' CE ' ' HB3' ' B' ' 62' ' ' GLN . 21.8 ttp -71.37 -49.61 40.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 12.890000000000001 110.949 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 70' ' ' VAL . . . . . 0.463 HG13 ' OH ' ' A' ' 78' ' ' TYR . 51.8 t -76.92 -24.46 15.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 15.52 111.032 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -60.6 -52.17 66.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.268 -0.424 . . . . 24.73 110.652 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.17 -40.33 94.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 28.780000000000001 110.586 179.677 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 73' ' ' THR . . . . . 0.8 HG23 HD22 ' B' ' 58' ' ' LEU . 62.4 m -55.95 -55.21 35.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 20.829999999999998 110.701 179.684 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 74' ' ' LEU . . . . . . . . . . . . . 13.5 mt -58.1 -42.0 84.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.489 . . . . 22.02 110.899 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 75' ' ' LYS . . . . . . . . . . . . . 3.4 ttpt -49.57 -41.29 41.24 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.96 0.41 . . . . 28.859999999999999 110.658 179.742 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 76' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -77.92 -31.43 51.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.999 -0.546 . . . . 31.34 110.549 179.627 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 77' ' ' LEU . . . . . . . . . . . . . 18.6 mt -63.75 -41.43 98.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.921 -0.581 . . . . 30.789999999999999 110.832 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 78' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -84.46 -39.41 18.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.112 -0.494 . . . . 33.609999999999999 110.778 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 79' ' ' LYS . . . . . . . . . . . . . 11.3 tttm . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 39.289999999999999 110.907 179.932 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.462 ' HB1' ' HB3' ' B' ' 78' ' ' TYR . . . . . . . . 0 N--CA 1.456 -0.131 0 CA-C-O 120.785 0.326 . . . . 35.57 110.794 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -68.04 -54.08 21.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.484 . . . . 30.59 110.578 179.768 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 46.2 ttp180 -60.94 -41.37 96.1 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.995 -0.548 . . . . 36.850000000000001 110.415 179.591 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.429 HD23 ' HA ' ' A' ' 58' ' ' LEU . 15.0 mt -58.95 -50.78 72.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.846 -0.615 . . . . 31.859999999999999 110.601 179.667 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.59 -32.87 30.34 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.109 -0.496 . . . . 22.879999999999999 110.875 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 30.3 t0 -76.36 -29.74 57.32 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.029 -0.532 . . . . 21.34 110.596 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -73.54 -51.79 15.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.067 -0.515 . . . . 21.350000000000001 110.612 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.882 ' HA ' HD12 ' A' ' 65' ' ' LEU . 30.8 mm-40 -54.85 -50.17 69.29 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.937 -0.574 . . . . 20.710000000000001 110.579 179.773 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 48.1 p -56.59 -41.59 77.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 18.649999999999999 110.525 179.661 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.415 ' O ' ' HG2' ' A' ' 67' ' ' LYS . 4.1 tt0 -60.02 -33.93 72.67 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.063 -0.517 . . . . 24.289999999999999 110.546 179.666 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.882 HD12 ' HA ' ' A' ' 62' ' ' GLN . 8.6 mt -68.96 -29.13 67.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.098 -0.501 . . . . 20.399999999999999 110.028 179.42 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 58.6 t -80.67 -46.45 21.22 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.283 0 CA-C-N 115.768 -0.651 . . . . 13.390000000000001 110.86 179.613 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.432 ' HD2' ' HD2' ' B' ' 67' ' ' LYS . 7.4 ptmt -59.86 -46.05 90.52 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.267 -0.424 . . . . 7.8499999999999996 110.38 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 16.4 ttpp -61.26 -38.39 86.52 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.061 -0.518 . . . . 16.800000000000001 110.317 179.504 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.41 ' CE ' HG21 ' C' ' 73' ' ' THR . 24.7 ttp -64.82 -42.29 95.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.958 -0.565 . . . . 9.2100000000000009 110.388 179.48 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 70.0 t -70.04 -42.17 79.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.094 -0.503 . . . . 9.1500000000000004 110.679 179.65 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.418 ' O ' ' CB ' ' A' ' 75' ' ' LYS . 48.5 t80 -52.25 -60.6 3.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 19.77 110.426 179.753 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.17 -45.71 68.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.224 -0.443 . . . . 14.880000000000001 110.609 179.719 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 17.6 m -61.75 -71.64 0.14 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.187 -0.461 . . . . 8.5999999999999996 110.277 179.545 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.641 HD12 ' HB2' ' B' ' 62' ' ' GLN . 19.8 mt -49.68 -36.84 26.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.979 -0.555 . . . . 14.02 111.105 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.418 ' CB ' ' O ' ' A' ' 71' ' ' PHE . 9.2 ttpp -56.25 -68.04 0.25 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.192 0.52 . . . . 18.030000000000001 110.029 179.187 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -61.98 -29.27 70.14 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.467 -0.788 . . . . 18.98 111.005 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.703 ' O ' HD12 ' A' ' 77' ' ' LEU . 0.7 OUTLIER -66.36 -54.97 18.3 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.43 -0.35 . . . . 21.109999999999999 110.576 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.479 ' CD1' ' CD1' ' D' ' 77' ' ' LEU . 20.9 m-85 -62.68 -21.56 65.82 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.371 -0.377 . . . . 28.420000000000002 110.809 179.562 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.61 -31.33 68.26 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.279 -0.419 . . . . 25.489999999999998 110.523 179.712 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 4.2 ttmt -66.79 -26.89 67.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.115 -0.493 . . . . 30.850000000000001 110.968 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.5 p . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.322 -0.399 . . . . 34.07 111.063 -179.857 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.756 0.312 . . . . 31.780000000000001 110.716 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 55' ' ' ALA . . . . . 0.476 ' HA ' HD12 ' B' ' 58' ' ' LEU . . . -56.78 -40.79 76.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 28.16 111.181 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -65.66 -49.37 68.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 33.280000000000001 110.886 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 6.5 mpt_? -51.16 -30.18 15.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 23.34 110.895 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 58' ' ' LEU . . . . . 0.829 HD22 HG23 ' D' ' 73' ' ' THR . 13.0 mt -77.37 -65.09 1.0 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 20.420000000000002 111.178 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -45.44 -27.67 0.75 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.997 -0.547 . . . . 19.789999999999999 111.349 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -71.9 -57.58 4.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 22.710000000000001 110.796 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 61' ' ' GLU . . . . . 0.411 ' HA ' ' HG2' ' B' ' 64' ' ' GLU . 2.3 mm-40 -63.55 -25.54 68.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.316 -0.402 . . . . 14.609999999999999 110.795 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 62' ' ' GLN . . . . . 0.641 ' HB2' HD12 ' A' ' 74' ' ' LEU . 2.5 mm-40 -75.24 -39.0 60.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 9.9700000000000006 110.904 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 2.8 p -69.04 -53.57 19.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.343 -0.389 . . . . 14.619999999999999 110.734 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 64' ' ' GLU . . . . . 0.411 ' HG2' ' HA ' ' B' ' 61' ' ' GLU . 0.0 OUTLIER -52.33 -35.69 51.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.105 -0.498 . . . . 11.76 110.669 179.688 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.13 -42.91 96.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 8.7699999999999996 110.799 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 66' ' ' VAL . . . . . 0.52 HG23 ' O ' ' B' ' 62' ' ' GLN . 60.5 t -63.78 -42.19 95.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.242 -0.435 . . . . 6.6900000000000004 111.122 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 67' ' ' LYS . . . . . 0.432 ' HD2' ' HD2' ' A' ' 67' ' ' LYS . 13.0 tttt -54.15 -59.91 4.03 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.985 -0.552 . . . . 5.7699999999999996 110.902 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 5.9 mttp -52.38 -32.87 40.69 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.206 -0.452 . . . . 13.65 111.074 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 69' ' ' MET . . . . . . . . . . . . . 44.0 ttp -72.76 -51.11 20.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.838 0.351 . . . . 12.220000000000001 110.982 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.62 HG13 ' OH ' ' C' ' 78' ' ' TYR . 64.6 t -75.9 -16.95 15.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 12.789999999999999 111.518 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.424 ' N ' ' O ' ' B' ' 67' ' ' LYS . 40.6 t80 -68.3 -54.07 20.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.888 0.375 . . . . 17.890000000000001 110.732 179.751 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -61.85 -43.37 98.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.082 -0.508 . . . . 26.550000000000001 110.809 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 73' ' ' THR . . . . . 0.762 HG23 HD22 ' D' ' 58' ' ' LEU . 52.5 m -53.96 -48.0 70.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 25.34 111.096 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 74' ' ' LEU . . . . . 0.525 ' HA ' HD12 ' B' ' 77' ' ' LEU . 24.6 mt -59.69 -39.6 85.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.467 . . . . 25.16 110.845 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 2.0 tptp -50.87 -46.27 60.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.356 -0.384 . . . . 25.640000000000001 110.537 179.771 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.0 -25.32 60.94 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.904 -0.589 . . . . 27.760000000000002 110.675 179.526 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.525 HD12 ' HA ' ' B' ' 74' ' ' LEU . 26.3 mt -72.46 -50.5 25.69 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.029 -0.532 . . . . 28.850000000000001 111.143 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 78' ' ' TYR . . . . . 0.462 ' HB3' ' HB1' ' A' ' 55' ' ' ALA . 8.4 m-85 -69.18 -57.53 5.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 31.440000000000001 111.497 -179.536 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.367 -0.379 . . . . 42.43 111.22 -179.748 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 55' ' ' ALA . . . . . 0.575 ' HB1' ' HB3' ' D' ' 78' ' ' TYR . . . . . . . . 0 N--CA 1.457 -0.118 0 CA-C-O 120.825 0.345 . . . . 32.479999999999997 110.802 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -67.92 -54.15 20.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 28.420000000000002 110.606 179.701 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 57' ' ' ARG . . . . . . . . . . . . . 46.1 ttp180 -61.0 -41.33 96.31 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.98 -0.555 . . . . 30.289999999999999 110.416 179.615 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 58' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' C' ' 58' ' ' LEU . 15.0 mt -59.02 -50.75 72.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.892 -0.594 . . . . 25.350000000000001 110.58 179.69 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.59 -32.85 30.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.092 -0.504 . . . . 23.440000000000001 110.832 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -76.37 -30.02 57.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 26.609999999999999 110.502 179.743 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -73.29 -51.72 16.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.499 . . . . 27.760000000000002 110.622 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 62' ' ' GLN . . . . . 0.85 ' HA ' HD12 ' C' ' 65' ' ' LEU . 31.2 mm-40 -54.82 -50.42 68.61 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.989 -0.551 . . . . 22.66 110.552 179.723 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 63' ' ' SER . . . . . . . . . . . . . 44.6 p -56.35 -41.39 76.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.482 . . . . 16.239999999999998 110.555 179.683 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 64' ' ' GLU . . . . . 0.415 ' O ' ' HG2' ' C' ' 67' ' ' LYS . 4.1 tt0 -60.31 -33.78 72.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.087 -0.506 . . . . 21.079999999999998 110.485 179.654 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 65' ' ' LEU . . . . . 0.85 HD12 ' HA ' ' C' ' 62' ' ' GLN . 8.5 mt -69.19 -29.03 66.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.078 0.466 . . . . 14.5 110.029 179.423 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 66' ' ' VAL . . . . . . . . . . . . . 58.9 t -80.68 -46.35 21.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.775 -0.648 . . . . 11.01 110.927 179.562 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 67' ' ' LYS . . . . . 0.452 ' HD2' ' CD ' ' D' ' 67' ' ' LYS . 7.6 ptmt -60.0 -45.94 91.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.224 -0.444 . . . . 19.98 110.491 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 68' ' ' LYS . . . . . . . . . . . . . 16.5 ttpp -61.19 -38.37 86.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.03 -0.532 . . . . 16.43 110.239 179.379 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 69' ' ' MET . . . . . . . . . . . . . 24.2 ttp -65.14 -42.07 94.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.994 -0.548 . . . . 6.9900000000000002 110.414 179.601 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 61.5 t -70.16 -41.93 79.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.01 -0.541 . . . . 5.5499999999999998 110.665 179.687 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 71' ' ' PHE . . . . . 0.42 ' O ' ' CB ' ' C' ' 75' ' ' LYS . 48.6 t80 -52.55 -60.8 2.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.246 -0.434 . . . . 8.6300000000000008 110.387 179.625 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.98 -45.73 67.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 9.0800000000000001 110.574 179.697 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 73' ' ' THR . . . . . 0.41 HG21 ' CE ' ' A' ' 69' ' ' MET . 17.8 m -61.9 -71.25 0.16 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.21 -0.45 . . . . 14.539999999999999 110.323 179.617 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 74' ' ' LEU . . . . . 0.539 HD12 ' HB2' ' D' ' 62' ' ' GLN . 20.9 mt -49.88 -37.13 29.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.094 -0.503 . . . . 18.039999999999999 111.086 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 75' ' ' LYS . . . . . 0.42 ' CB ' ' O ' ' C' ' 71' ' ' PHE . 9.2 ttpp -56.07 -68.02 0.24 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.158 0.504 . . . . 18.899999999999999 109.975 179.303 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 76' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -61.99 -29.48 70.28 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.493 -0.776 . . . . 14.300000000000001 110.994 179.766 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 77' ' ' LEU . . . . . 0.7 ' O ' HD12 ' C' ' 77' ' ' LEU . 0.7 OUTLIER -66.1 -55.08 18.26 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.48 -0.327 . . . . 19.850000000000001 110.541 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' C' C ' 78' ' ' TYR . . . . . 0.62 ' OH ' HG13 ' B' ' 70' ' ' VAL . 20.9 m-85 -62.43 -21.92 65.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.393 -0.367 . . . . 24.239999999999998 110.762 179.613 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.37 -31.13 68.25 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.296 -0.411 . . . . 27.620000000000001 110.615 179.66 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 4.2 ttmt -67.12 -26.7 66.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 27.780000000000001 111.014 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 81' ' ' THR . . . . . . . . . . . . . 2.6 p . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.306 -0.407 . . . . 33.310000000000002 110.999 -179.888 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.815 0.34 . . . . 35.369999999999997 110.771 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' D' D ' 55' ' ' ALA . . . . . 0.475 ' HA ' HD12 ' D' ' 58' ' ' LEU . . . -56.72 -40.61 75.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 33.700000000000003 111.229 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -65.77 -49.26 68.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 31.600000000000001 110.929 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 57' ' ' ARG . . . . . . . . . . . . . 6.5 mpt_? -50.98 -30.29 14.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.144 -0.48 . . . . 32.799999999999997 110.965 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 58' ' ' LEU . . . . . 0.762 HD22 HG23 ' B' ' 73' ' ' THR . 12.8 mt -77.53 -65.13 1.0 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 19.850000000000001 111.076 -179.769 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 59' ' ' ALA . . . . . . . . . . . . . . . -45.29 -27.92 0.73 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.063 -0.517 . . . . 17.68 111.312 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 60' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -71.61 -57.3 4.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.132 -0.486 . . . . 20.859999999999999 110.852 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 61' ' ' GLU . . . . . 0.409 ' HA ' ' CG ' ' D' ' 64' ' ' GLU . 2.3 mm-40 -63.94 -25.46 68.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 14.609999999999999 110.819 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 62' ' ' GLN . . . . . 0.539 ' HB2' HD12 ' C' ' 74' ' ' LEU . 2.5 mm-40 -75.24 -39.08 60.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.491 . . . . 14.19 110.833 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 63' ' ' SER . . . . . . . . . . . . . 2.6 p -69.07 -53.59 19.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.318 -0.401 . . . . 14.66 110.727 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 64' ' ' GLU . . . . . 0.409 ' CG ' ' HA ' ' D' ' 61' ' ' GLU . 0.0 OUTLIER -52.24 -35.78 50.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 14.050000000000001 110.613 179.736 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' D' D ' 65' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.95 -43.46 95.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.058 -0.519 . . . . 6.7599999999999998 110.802 179.749 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 66' ' ' VAL . . . . . 0.536 HG23 ' O ' ' D' ' 62' ' ' GLN . 60.1 t -63.26 -42.14 95.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.951 0.405 . . . . 7.7699999999999996 111.179 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 67' ' ' LYS . . . . . 0.452 ' CD ' ' HD2' ' C' ' 67' ' ' LYS . 13.4 tttt -54.12 -60.11 3.76 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.97 -0.559 . . . . 21.039999999999999 110.964 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 68' ' ' LYS . . . . . . . . . . . . . 5.9 mttp -52.1 -32.87 37.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.284 -0.416 . . . . 16.510000000000002 111.12 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 69' ' ' MET . . . . . . . . . . . . . 43.9 ttp -72.79 -51.26 19.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.372 -0.376 . . . . 12.539999999999999 110.97 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 70' ' ' VAL . . . . . 0.46 HG13 ' OH ' ' A' ' 78' ' ' TYR . 61.4 t -75.69 -17.01 15.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 14.65 111.491 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 71' ' ' PHE . . . . . 0.404 ' N ' ' O ' ' D' ' 67' ' ' LYS . 41.3 t80 -68.29 -54.39 17.84 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.896 0.379 . . . . 23.280000000000001 110.691 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -61.75 -43.04 99.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 27.489999999999998 110.8 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 73' ' ' THR . . . . . 0.829 HG23 HD22 ' B' ' 58' ' ' LEU . 51.9 m -54.25 -47.84 71.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.202 -0.453 . . . . 20.129999999999999 110.975 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 74' ' ' LEU . . . . . 0.525 ' HA ' HD12 ' D' ' 77' ' ' LEU . 25.0 mt -59.78 -39.42 84.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 23.609999999999999 110.844 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 75' ' ' LYS . . . . . . . . . . . . . 2.0 tptp -51.09 -46.14 61.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.964 0.411 . . . . 30.329999999999998 110.586 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 76' ' ' ASP . . . . . 0.4 ' HA ' ' HG2' ' D' ' 79' ' ' LYS . 0.7 OUTLIER -73.11 -25.19 60.77 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.835 -0.62 . . . . 31.34 110.702 179.587 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' D' D ' 77' ' ' LEU . . . . . 0.525 HD12 ' HA ' ' D' ' 74' ' ' LEU . 26.8 mt -72.62 -50.64 23.88 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.06 -0.518 . . . . 30.039999999999999 111.169 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 78' ' ' TYR . . . . . 0.575 ' HB3' ' HB1' ' C' ' 55' ' ' ALA . 8.3 m-85 -68.94 -57.55 5.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.104 -0.498 . . . . 33.68 111.37 -179.58 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 79' ' ' LYS . . . . . 0.4 ' HG2' ' HA ' ' D' ' 76' ' ' ASP . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.404 -0.362 . . . . 37.950000000000003 111.22 -179.666 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.41 ' HB1' ' HB3' ' B' ' 78' ' ' TYR . . . . . . . . 0 N--CA 1.456 -0.143 0 CA-C-O 120.768 0.318 . . . . 31.219999999999999 110.872 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -67.64 -53.22 29.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.993 0.425 . . . . 27.960000000000001 110.45 179.63 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 1.5 ttp180 -59.55 -47.43 85.59 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.88 -0.6 . . . . 28.010000000000002 110.349 179.468 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 15.0 mt -53.68 -49.83 67.16 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.691 -0.686 . . . . 29.620000000000001 110.767 179.637 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -52.07 -41.43 62.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 24.760000000000002 110.806 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -73.97 -37.18 64.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.002 -0.545 . . . . 26.260000000000002 110.665 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -66.79 -44.41 81.35 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.129 -0.487 . . . . 25.57 110.736 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.586 ' HA ' HD12 ' A' ' 65' ' ' LEU . 1.9 mm-40 -68.83 -37.29 79.08 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.061 -0.518 . . . . 19.170000000000002 110.494 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 33.2 p -68.43 -35.66 77.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.006 -0.543 . . . . 16.129999999999999 110.666 179.743 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.87 -43.69 98.33 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.241 -0.436 . . . . 18.210000000000001 110.657 179.766 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.586 HD12 ' HA ' ' A' ' 62' ' ' GLN . 9.5 mt -57.71 -42.63 84.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.07 -0.513 . . . . 17.399999999999999 110.632 179.822 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 48.9 t -67.45 -47.1 81.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 9.8100000000000005 110.982 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 53.2 tttt -56.86 -59.98 4.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.439 . . . . 17.359999999999999 110.367 179.662 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 4.9 ttmt -54.13 -33.25 57.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 22.350000000000001 110.071 179.414 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 7.8 tmm? -66.66 -44.5 81.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.86 -0.609 . . . . 9.0700000000000003 110.212 179.506 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.43 HG13 ' HG ' ' A' ' 74' ' ' LEU . 66.0 t -68.66 -35.86 71.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.102 -0.499 . . . . 6.4100000000000001 110.491 179.494 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.487 ' CZ ' ' HD3' ' A' ' 75' ' ' LYS . 64.2 t80 -54.7 -58.71 6.45 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.068 -0.514 . . . . 17.329999999999998 110.216 179.614 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -53.27 -49.45 66.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.253 -0.431 . . . . 11.220000000000001 110.7 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 17.6 m -60.04 -69.68 0.2 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.269 -0.423 . . . . 11.52 110.3 179.768 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.511 HD23 HD23 ' A' ' 77' ' ' LEU . 16.6 mt -50.57 -36.37 34.36 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.996 -0.547 . . . . 18.449999999999999 111.211 -179.834 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.487 ' HD3' ' CZ ' ' A' ' 71' ' ' PHE . 7.6 ttpp -55.5 -69.35 0.14 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.094 0.473 . . . . 20.91 110.171 179.534 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.65 -26.73 68.19 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.635 -0.711 . . . . 16.050000000000001 110.878 179.801 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.631 ' C ' HD12 ' A' ' 77' ' ' LEU . 0.5 OUTLIER -67.83 -59.72 3.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.311 -0.404 . . . . 19.239999999999998 110.582 179.909 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.688 ' OH ' HG13 ' D' ' 70' ' ' VAL . 18.9 m-85 -59.18 -24.0 62.71 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.818 0.342 . . . . 26.149999999999999 110.671 179.678 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 7.0 mmtt -68.06 -34.17 75.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 27.34 110.591 179.747 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 18.9 tttt -69.53 -29.28 66.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.492 . . . . 30.579999999999998 110.974 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 34.439999999999998 111.051 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.785 0.326 . . . . 33.270000000000003 110.762 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -54.47 -38.13 66.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 32.5 110.97 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.72 -45.32 52.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.042 -0.526 . . . . 30.059999999999999 110.792 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -53.8 -36.14 62.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 25.73 110.962 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 58' ' ' LEU . . . . . 0.914 HD22 HG23 ' D' ' 73' ' ' THR . 17.1 mt -74.2 -58.52 3.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 18.079999999999998 110.953 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -42.9 -30.12 0.38 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.063 -0.517 . . . . 19.09 111.117 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 60' ' ' ASP . . . . . 0.474 ' HA ' ' HG ' ' B' ' 63' ' ' SER . 40.1 t0 -85.11 -36.63 21.02 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.876 -0.602 . . . . 23.75 110.831 179.641 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 61' ' ' GLU . . . . . 0.417 ' N ' ' O ' ' B' ' 58' ' ' LEU . 12.6 tp10 -71.69 -47.94 50.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.053 0.454 . . . . 16.699999999999999 110.572 179.693 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 62' ' ' GLN . . . . . 0.486 ' HB2' ' CD1' ' A' ' 74' ' ' LEU . 2.0 mm-40 -68.95 -35.29 76.59 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.051 -0.522 . . . . 14.99 111.145 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 63' ' ' SER . . . . . 0.474 ' HG ' ' HA ' ' B' ' 60' ' ' ASP . 65.5 p -66.11 -54.94 19.38 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.696 0.284 . . . . 12.59 110.83 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 64' ' ' GLU . . . . . 0.44 ' HG3' ' N ' ' B' ' 65' ' ' LEU . 0.4 OUTLIER -52.15 -30.01 24.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.95 0.405 . . . . 7.7300000000000004 110.586 179.703 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 65' ' ' LEU . . . . . 0.44 ' N ' ' HG3' ' B' ' 64' ' ' GLU . 0.1 OUTLIER -67.26 -37.03 82.82 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.07 -0.514 . . . . 5.3600000000000003 110.805 179.661 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 66' ' ' VAL . . . . . 0.529 HG13 ' HE2' ' B' ' 69' ' ' MET . 3.5 t -67.24 -34.38 68.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 6.0999999999999996 111.113 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 2.7 ttpt -61.18 -62.29 1.95 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.204 -0.453 . . . . 15.65 110.899 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 9.3 ptmt -55.0 -26.65 38.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.881 0.372 . . . . 16.670000000000002 110.537 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 69' ' ' MET . . . . . 0.529 ' HE2' HG13 ' B' ' 66' ' ' VAL . 41.4 ttp -73.33 -53.29 11.14 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.154 -0.475 . . . . 13.109999999999999 110.793 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.72 HG13 ' OH ' ' C' ' 78' ' ' TYR . 66.4 t -76.65 -21.49 14.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 15.48 111.116 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 25.0 t80 -64.51 -45.15 88.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.93 0.395 . . . . 24.98 110.319 179.605 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -68.28 -41.77 80.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.017 -0.538 . . . . 28.800000000000001 110.463 179.578 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 73' ' ' THR . . . . . 0.884 HG23 HD22 ' D' ' 58' ' ' LEU . 29.0 m -56.85 -53.03 62.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.488 . . . . 22.149999999999999 110.759 179.672 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 74' ' ' LEU . . . . . 0.508 ' HA ' HD12 ' B' ' 77' ' ' LEU . 16.1 mt -57.02 -40.38 76.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.126 -0.488 . . . . 21.190000000000001 110.693 179.727 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 15.4 ttpp -49.55 -44.72 46.87 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.159 -0.473 . . . . 27.050000000000001 110.654 179.672 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -73.42 -37.93 65.72 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.816 -0.629 . . . . 31.449999999999999 110.299 179.536 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.508 HD12 ' HA ' ' B' ' 74' ' ' LEU . 11.3 mt -54.47 -51.44 65.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.005 -0.543 . . . . 30.960000000000001 110.514 179.679 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 78' ' ' TYR . . . . . 0.41 ' HB3' ' HB1' ' A' ' 55' ' ' ALA . 48.4 m-85 -73.91 -37.98 64.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.1 -0.5 . . . . 32.420000000000002 110.823 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 7.9 ttmm . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 40.829999999999998 110.76 179.963 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.164 0 CA-C-O 120.785 0.326 . . . . 35.520000000000003 110.907 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -67.71 -52.8 33.46 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.317 -0.401 . . . . 30.829999999999998 110.461 179.67 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 57' ' ' ARG . . . . . . . . . . . . . 1.5 ttp180 -59.99 -47.17 86.95 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.928 -0.578 . . . . 39.079999999999998 110.286 179.527 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 14.8 mt -53.72 -50.06 66.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.683 -0.689 . . . . 26.890000000000001 110.766 179.677 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.88 -41.52 61.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.134 -0.485 . . . . 20.539999999999999 110.887 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -73.92 -37.09 64.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.093 -0.503 . . . . 19.859999999999999 110.757 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -66.87 -44.27 81.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 22.16 110.781 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 62' ' ' GLN . . . . . 0.598 ' HA ' HD12 ' C' ' 65' ' ' LEU . 2.0 mm-40 -68.88 -37.48 79.07 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.058 -0.519 . . . . 24.760000000000002 110.515 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 63' ' ' SER . . . . . 0.407 ' HB2' ' HG2' ' D' ' 67' ' ' LYS . 34.4 p -68.29 -35.73 78.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.985 -0.552 . . . . 17.949999999999999 110.617 179.797 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.95 -43.48 98.75 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.239 -0.437 . . . . 26.640000000000001 110.631 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 65' ' ' LEU . . . . . 0.598 HD12 ' HA ' ' C' ' 62' ' ' GLN . 9.5 mt -57.99 -42.47 85.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.09 -0.504 . . . . 18.100000000000001 110.69 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 66' ' ' VAL . . . . . . . . . . . . . 50.1 t -67.47 -47.23 81.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.12 -0.491 . . . . 14.98 110.945 179.709 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 67' ' ' LYS . . . . . . . . . . . . . 53.5 tttt -56.67 -60.33 3.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.274 -0.421 . . . . 10.58 110.346 179.577 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 68' ' ' LYS . . . . . . . . . . . . . 4.9 ttmt -53.9 -33.27 56.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 12.56 110.147 179.401 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 69' ' ' MET . . . . . . . . . . . . . 7.6 tmm? -66.55 -44.55 82.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.84 -0.618 . . . . 8.2400000000000002 110.223 179.535 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 70' ' ' VAL . . . . . 0.436 HG13 ' HG ' ' C' ' 74' ' ' LEU . 71.6 t -68.58 -36.22 73.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.063 -0.517 . . . . 9.2599999999999998 110.471 179.535 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 71' ' ' PHE . . . . . 0.483 ' CZ ' ' HD3' ' C' ' 75' ' ' LYS . 64.6 t80 -54.14 -58.89 5.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.055 -0.521 . . . . 13.4 110.273 179.621 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -53.1 -49.51 66.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 12.9 110.669 179.757 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 73' ' ' THR . . . . . . . . . . . . . 17.7 m -60.16 -69.47 0.22 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.311 -0.404 . . . . 11.68 110.37 179.671 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 74' ' ' LEU . . . . . 0.489 HD23 HD23 ' C' ' 77' ' ' LEU . 16.2 mt -50.82 -36.37 37.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.063 -0.517 . . . . 13.51 111.092 -179.784 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 75' ' ' LYS . . . . . 0.483 ' HD3' ' CZ ' ' C' ' 71' ' ' PHE . 7.6 ttpp -55.45 -69.4 0.14 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.093 0.473 . . . . 13.75 110.229 179.497 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 76' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.37 -26.98 68.19 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.692 -0.685 . . . . 17.149999999999999 110.923 179.663 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 77' ' ' LEU . . . . . 0.643 ' C ' HD12 ' C' ' 77' ' ' LEU . 0.5 OUTLIER -67.72 -59.89 2.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.304 -0.407 . . . . 21.18 110.615 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' C' C ' 78' ' ' TYR . . . . . 0.72 ' OH ' HG13 ' B' ' 70' ' ' VAL . 19.1 m-85 -59.22 -23.51 62.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.492 -0.322 . . . . 25.280000000000001 110.619 179.732 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 6.9 mmtt -68.47 -34.04 75.23 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.307 -0.406 . . . . 28.23 110.65 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 19.0 tttt -69.54 -29.39 66.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.045 -0.525 . . . . 27.829999999999998 110.891 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 33.899999999999999 111.089 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.827 0.346 . . . . 33.539999999999999 110.75 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 55' ' ' ALA . . . . . . . . . . . . . . . -54.55 -38.28 66.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.479 . . . . 30.329999999999998 110.853 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.58 -45.2 54.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 32.090000000000003 110.786 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 57' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -54.04 -35.87 62.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.485 . . . . 29.16 110.888 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 58' ' ' LEU . . . . . 0.884 HD22 HG23 ' B' ' 73' ' ' THR . 17.6 mt -74.41 -58.59 3.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 22.27 110.904 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 59' ' ' ALA . . . . . . . . . . . . . . . -42.92 -30.02 0.37 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.042 -0.526 . . . . 19.739999999999998 111.109 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 60' ' ' ASP . . . . . 0.451 ' HA ' ' HG ' ' D' ' 63' ' ' SER . 40.1 t0 -85.22 -36.56 20.88 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.907 -0.588 . . . . 18.199999999999999 110.863 179.658 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 61' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' D' ' 58' ' ' LEU . 12.6 tp10 -71.68 -47.95 50.76 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.185 -0.461 . . . . 11.66 110.581 179.564 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 62' ' ' GLN . . . . . 0.487 ' HB2' ' CD1' ' C' ' 74' ' ' LEU . 1.9 mm-40 -69.03 -35.35 76.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.056 -0.52 . . . . 10.949999999999999 111.154 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 63' ' ' SER . . . . . 0.451 ' HG ' ' HA ' ' D' ' 60' ' ' ASP . 65.4 p -65.99 -54.94 19.67 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.712 0.292 . . . . 16.640000000000001 110.798 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 64' ' ' GLU . . . . . 0.444 ' HG3' ' N ' ' D' ' 65' ' ' LEU . 0.4 OUTLIER -52.28 -29.87 25.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.871 0.367 . . . . 16.530000000000001 110.594 179.695 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' D' D ' 65' ' ' LEU . . . . . 0.444 ' N ' ' HG3' ' D' ' 64' ' ' GLU . 0.1 OUTLIER -67.51 -36.91 81.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.109 -0.496 . . . . 10.039999999999999 110.712 179.78 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' D' D ' 66' ' ' VAL . . . . . 0.535 HG13 ' HE2' ' D' ' 69' ' ' MET . 3.6 t -67.33 -34.44 68.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.197 -0.456 . . . . 8.5800000000000001 111.087 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 67' ' ' LYS . . . . . 0.407 ' HG2' ' HB2' ' C' ' 63' ' ' SER . 2.6 ttpt -61.31 -61.97 2.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 14.699999999999999 110.934 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 68' ' ' LYS . . . . . . . . . . . . . 9.2 ptmt -55.21 -26.67 40.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.829 0.347 . . . . 8.4600000000000009 110.49 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 69' ' ' MET . . . . . 0.535 ' HE2' HG13 ' D' ' 66' ' ' VAL . 41.7 ttp -73.45 -53.15 11.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.068 -0.514 . . . . 10.949999999999999 110.774 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 70' ' ' VAL . . . . . 0.688 HG13 ' OH ' ' A' ' 78' ' ' TYR . 67.8 t -76.72 -21.33 14.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 10.75 111.145 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 25.6 t80 -64.87 -44.71 88.79 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.351 -0.386 . . . . 17.989999999999998 110.42 179.629 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -68.54 -41.6 79.65 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.084 -0.507 . . . . 23.510000000000002 110.448 179.506 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 73' ' ' THR . . . . . 0.914 HG23 HD22 ' B' ' 58' ' ' LEU . 29.1 m -56.98 -53.14 61.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.09 -0.505 . . . . 23.440000000000001 110.629 179.722 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 74' ' ' LEU . . . . . 0.501 ' HA ' HD12 ' D' ' 77' ' ' LEU . 16.4 mt -56.99 -40.47 76.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 27.219999999999999 110.57 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 75' ' ' LYS . . . . . . . . . . . . . 15.4 ttpp -49.44 -44.82 45.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 28.870000000000001 110.563 179.747 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 76' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -73.2 -38.14 66.21 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.903 -0.589 . . . . 28.649999999999999 110.413 179.466 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 77' ' ' LEU . . . . . 0.501 HD12 ' HA ' ' D' ' 74' ' ' LEU . 11.4 mt -54.39 -51.12 65.84 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.94 -0.573 . . . . 28.73 110.675 179.663 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 78' ' ' TYR . . . . . . . . . . . . . 47.3 m-85 -74.05 -38.2 64.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.052 -0.522 . . . . 34.350000000000001 110.777 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 79' ' ' LYS . . . . . . . . . . . . . 8.0 ttmm . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.058 -0.519 . . . . 43.200000000000003 110.8 179.927 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.422 ' HB1' ' CB ' ' B' ' 78' ' ' TYR . . . . . . . . 0 N--CA 1.456 -0.169 0 CA-C-O 120.813 0.339 . . . . 34.939999999999998 111.121 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -64.86 -56.61 12.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 30.09 110.89 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.454 ' HG3' ' N ' ' A' ' 58' ' ' LEU . 3.4 ptt180 -66.89 -48.37 68.92 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.92 -0.582 . . . . 39.32 110.444 179.812 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.48 HD23 ' O ' ' A' ' 58' ' ' LEU . 0.3 OUTLIER -51.38 -43.82 62.0 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.738 -0.665 . . . . 27.43 110.396 179.344 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.19 -40.67 82.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.014 -0.539 . . . . 21.149999999999999 111.009 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -55.29 -40.2 70.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.039 -0.528 . . . . 18.620000000000001 110.836 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.74 -58.53 7.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 20.52 110.838 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.679 ' HA ' HD12 ' A' ' 65' ' ' LEU . 6.2 mp0 -51.0 -52.68 40.41 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.99 -0.55 . . . . 24.16 110.761 179.82 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 96.7 p -55.25 -30.4 59.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.121 -0.491 . . . . 18.399999999999999 110.834 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 54.8 tt0 -67.78 -50.46 56.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 26.32 110.764 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.679 HD12 ' HA ' ' A' ' 62' ' ' GLN . 3.7 mt -53.47 -39.54 64.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 19.309999999999999 110.719 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 59.1 t -69.05 -44.25 81.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.068 -0.515 . . . . 15.24 110.921 179.743 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.403 ' HG3' ' HB3' ' B' ' 63' ' ' SER . 19.0 tttt -61.0 -51.28 69.89 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.052 -0.522 . . . . 8.8599999999999994 110.629 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.2 ttpt -56.63 -29.41 62.18 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.195 -0.457 . . . . 14.09 110.389 179.588 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 50.2 ttp -70.0 -42.41 73.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.988 -0.551 . . . . 8.3000000000000007 110.596 179.732 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 59.6 t -70.12 -42.87 79.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.082 -0.508 . . . . 9.3499999999999996 110.763 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.407 ' O ' ' HB2' ' A' ' 75' ' ' LYS . 46.3 t80 -50.61 -61.6 2.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.462 -0.335 . . . . 15.359999999999999 110.514 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -50.72 -45.14 58.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.351 -0.386 . . . . 14.26 110.517 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.1 m -62.3 -72.44 0.13 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.035 -0.529 . . . . 10.51 110.219 179.494 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.787 HD12 ' HB2' ' B' ' 62' ' ' GLN . 12.7 mt -49.53 -34.29 16.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.102 -0.499 . . . . 13.06 111.078 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.407 ' HB2' ' O ' ' A' ' 71' ' ' PHE . 2.3 ttpt -54.18 -67.6 0.25 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.104 -0.498 . . . . 14.949999999999999 110.301 179.697 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -64.71 -31.17 72.27 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.739 -0.664 . . . . 18.309999999999999 111.089 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.649 ' O ' HD12 ' A' ' 77' ' ' LEU . 0.9 OUTLIER -65.07 -57.53 8.39 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.348 -0.387 . . . . 21.59 110.824 -179.854 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.491 ' OH ' HD13 ' A' ' 74' ' ' LEU . 22.1 m-30 -61.23 -22.78 65.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.373 -0.376 . . . . 26.350000000000001 110.929 179.735 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -71.48 -32.39 68.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.374 -0.375 . . . . 24.460000000000001 110.588 179.793 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.4 -39.69 85.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 29.510000000000002 110.85 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.18 -0.464 . . . . 33.939999999999998 110.877 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.847 0.356 . . . . 33.119999999999997 110.662 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.1 -45.08 83.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.089 -0.505 . . . . 29.59 110.892 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -64.68 -56.07 16.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.015 -0.539 . . . . 34.219999999999999 110.691 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 28.8 mtt-85 -52.01 -28.62 17.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 26.57 110.478 179.672 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 58' ' ' LEU . . . . . 0.461 HD22 HG23 ' D' ' 73' ' ' THR . 14.9 mt -71.05 -60.05 2.45 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.976 -0.556 . . . . 22.469999999999999 110.621 179.707 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -49.29 -38.05 26.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.904 -0.589 . . . . 20.16 110.901 179.624 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -59.09 -45.19 91.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.071 -0.513 . . . . 19.68 110.451 179.764 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -62.02 -40.83 97.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.091 -0.504 . . . . 12.199999999999999 110.446 179.602 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 62' ' ' GLN . . . . . 0.831 ' O ' HG23 ' B' ' 66' ' ' VAL . 2.4 mm-40 -66.39 -46.3 77.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.026 -0.534 . . . . 10.83 110.505 179.629 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 63' ' ' SER . . . . . 0.403 ' HB3' ' HG3' ' A' ' 67' ' ' LYS . 1.4 m -55.7 -65.02 0.67 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.015 -0.539 . . . . 16.600000000000001 110.805 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 64' ' ' GLU . . . . . 0.43 ' HG3' ' N ' ' B' ' 65' ' ' LEU . 1.3 pt-20 -49.43 -30.52 8.11 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.253 -0.431 . . . . 16.039999999999999 110.861 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 65' ' ' LEU . . . . . 0.43 ' N ' ' HG3' ' B' ' 64' ' ' GLU . 0.2 OUTLIER -72.19 -42.79 65.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 10.26 110.546 179.717 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 66' ' ' VAL . . . . . 0.831 HG23 ' O ' ' B' ' 62' ' ' GLN . 19.0 t -63.79 -34.28 67.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.123 -0.49 . . . . 8.0600000000000005 110.991 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 12.6 ttpt -64.11 -51.81 62.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 11.359999999999999 110.802 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.7 -32.03 68.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.284 -0.416 . . . . 9.1500000000000004 110.706 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 69' ' ' MET . . . . . 0.417 ' CE ' ' HB3' ' D' ' 62' ' ' GLN . 29.2 ttp -71.5 -50.59 29.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 11.07 110.79 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 93.0 t -75.59 -23.18 16.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.098 -0.501 . . . . 10.710000000000001 111.06 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -63.47 -44.19 95.16 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.294 -0.412 . . . . 17.780000000000001 110.668 179.767 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 43.6 t0 -69.94 -41.14 74.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 23.390000000000001 110.683 179.751 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 73' ' ' THR . . . . . 0.469 HG21 ' CZ ' ' C' ' 78' ' ' TYR . 99.4 m -54.6 -59.08 5.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 24.420000000000002 110.836 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 74' ' ' LEU . . . . . 0.64 HD23 HD12 ' B' ' 77' ' ' LEU . 72.8 mt -50.6 -38.44 45.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 27.059999999999999 110.805 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 44.9 tttm -52.93 -51.81 60.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.032 0.444 . . . . 28.93 110.628 179.753 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -68.49 -32.4 72.35 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.858 -0.61 . . . . 28.23 110.672 179.725 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.64 HD12 HD23 ' B' ' 74' ' ' LEU . 20.7 mt -61.74 -44.99 95.83 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.054 -0.521 . . . . 28.77 110.579 179.795 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 78' ' ' TYR . . . . . 0.422 ' CB ' ' HB1' ' A' ' 55' ' ' ALA . 4.5 m-85 -84.12 -27.33 28.25 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.006 -0.543 . . . . 34.060000000000002 110.747 179.814 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.058 -0.519 . . . . 43.299999999999997 110.738 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.111 0 CA-C-O 120.843 0.354 . . . . 30.079999999999998 111.141 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -64.97 -56.44 13.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 27.079999999999998 110.949 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 57' ' ' ARG . . . . . 0.447 ' HG3' ' N ' ' C' ' 58' ' ' LEU . 3.4 ptt180 -67.12 -48.16 68.94 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.954 -0.566 . . . . 27.350000000000001 110.362 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 58' ' ' LEU . . . . . 0.476 ' O ' HD23 ' C' ' 58' ' ' LEU . 0.3 OUTLIER -51.53 -43.72 62.39 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.748 -0.66 . . . . 27.52 110.396 179.417 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.35 -40.67 82.8 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.998 -0.546 . . . . 24.829999999999998 110.975 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -55.15 -40.21 70.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.108 -0.497 . . . . 26.920000000000002 110.9 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.59 -58.71 7.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 28.149999999999999 110.893 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 62' ' ' GLN . . . . . 0.667 ' HA ' HD12 ' C' ' 65' ' ' LEU . 6.2 mp0 -50.96 -52.59 40.98 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.951 -0.568 . . . . 19.969999999999999 110.755 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 63' ' ' SER . . . . . . . . . . . . . 98.6 p -55.24 -30.57 60.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.081 -0.509 . . . . 16.07 110.762 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 54.6 tt0 -67.72 -50.28 58.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 18.59 110.816 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 65' ' ' LEU . . . . . 0.667 HD12 ' HA ' ' C' ' 62' ' ' GLN . 3.7 mt -53.61 -39.7 65.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 16.5 110.637 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 66' ' ' VAL . . . . . . . . . . . . . 55.1 t -69.09 -44.01 81.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 10.1 110.951 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 67' ' ' LYS . . . . . 0.435 ' HG3' ' HB3' ' D' ' 63' ' ' SER . 18.9 tttt -61.14 -51.17 70.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.996 -0.547 . . . . 18.829999999999998 110.561 179.83 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 68' ' ' LYS . . . . . . . . . . . . . 1.2 ttpt -56.73 -29.55 62.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.291 -0.413 . . . . 21.739999999999998 110.371 179.627 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 69' ' ' MET . . . . . . . . . . . . . 50.6 ttp -69.76 -42.5 73.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.958 -0.565 . . . . 8.2100000000000009 110.646 179.674 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 63.5 t -70.09 -42.99 79.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.139 -0.482 . . . . 4.9100000000000001 110.762 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 71' ' ' PHE . . . . . 0.406 ' O ' ' HB2' ' C' ' 75' ' ' LYS . 46.6 t80 -50.47 -61.44 2.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.462 -0.336 . . . . 14.68 110.604 179.833 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -50.84 -45.08 59.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.346 -0.388 . . . . 7.2400000000000002 110.529 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 73' ' ' THR . . . . . . . . . . . . . 18.1 m -62.32 -72.46 0.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.067 -0.515 . . . . 12.93 110.314 179.465 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 74' ' ' LEU . . . . . 0.779 HD12 ' HB2' ' D' ' 62' ' ' GLN . 13.2 mt -49.7 -34.14 17.9 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.154 -0.475 . . . . 18.91 111.006 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 75' ' ' LYS . . . . . 0.406 ' HB2' ' O ' ' C' ' 71' ' ' PHE . 2.3 ttpt -54.18 -67.58 0.25 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.19 -0.459 . . . . 19.25 110.283 179.632 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 76' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -64.78 -31.18 72.29 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.736 -0.666 . . . . 15.449999999999999 111.072 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 77' ' ' LEU . . . . . 0.635 ' O ' HD12 ' C' ' 77' ' ' LEU . 0.9 OUTLIER -65.15 -57.32 8.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.355 -0.384 . . . . 19.510000000000002 110.804 -179.832 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' C' C ' 78' ' ' TYR . . . . . 0.507 ' OH ' HD13 ' C' ' 74' ' ' LEU . 22.1 m-30 -61.33 -22.87 65.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.361 -0.381 . . . . 25.890000000000001 110.902 179.704 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -71.54 -32.02 67.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.388 -0.369 . . . . 27.309999999999999 110.601 179.829 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.55 -39.95 84.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.276 -0.42 . . . . 30.329999999999998 110.834 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 81' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.067 -0.515 . . . . 34.189999999999998 110.939 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.457 -0.076 0 CA-C-O 120.843 0.354 . . . . 34.310000000000002 110.662 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.09 -45.0 83.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.065 -0.516 . . . . 33.380000000000003 110.895 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -64.83 -56.1 15.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.016 -0.538 . . . . 31.949999999999999 110.635 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 57' ' ' ARG . . . . . . . . . . . . . 29.7 mtt-85 -51.96 -28.72 17.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 26.109999999999999 110.489 179.66 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 58' ' ' LEU . . . . . 0.419 HD22 HG23 ' B' ' 73' ' ' THR . 14.8 mt -70.96 -59.93 2.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.944 -0.571 . . . . 18.829999999999998 110.555 179.683 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 59' ' ' ALA . . . . . . . . . . . . . . . -49.47 -37.95 28.09 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.873 -0.603 . . . . 18.129999999999999 110.889 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 60' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -59.21 -45.04 92.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.045 -0.525 . . . . 23.210000000000001 110.58 179.731 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 61' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -62.1 -40.98 97.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.064 -0.516 . . . . 16.489999999999998 110.451 179.667 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 62' ' ' GLN . . . . . 0.839 ' O ' HG23 ' D' ' 66' ' ' VAL . 2.6 mm-40 -66.22 -46.4 77.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.95 -0.568 . . . . 15.140000000000001 110.512 179.647 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 63' ' ' SER . . . . . 0.435 ' HB3' ' HG3' ' C' ' 67' ' ' LYS . 1.4 m -55.69 -64.7 0.77 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.949 -0.569 . . . . 13.75 110.885 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 64' ' ' GLU . . . . . 0.434 ' HG3' ' N ' ' D' ' 65' ' ' LEU . 1.3 pt-20 -49.61 -30.67 9.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.285 -0.416 . . . . 10.31 110.712 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 65' ' ' LEU . . . . . 0.434 ' N ' ' HG3' ' D' ' 64' ' ' GLU . 0.2 OUTLIER -71.93 -42.7 66.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.118 -0.492 . . . . 5.2699999999999996 110.533 179.688 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' D' D ' 66' ' ' VAL . . . . . 0.839 HG23 ' O ' ' D' ' 62' ' ' GLN . 18.9 t -63.88 -34.21 66.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 7.0599999999999996 111.049 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 67' ' ' LYS . . . . . . . . . . . . . 12.6 ttpt -64.29 -51.69 62.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.098 -0.501 . . . . 18.59 110.806 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.85 -31.97 69.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.424 . . . . 18.559999999999999 110.805 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 69' ' ' MET . . . . . 0.436 ' CE ' ' HB3' ' B' ' 62' ' ' GLN . 30.1 ttp -71.65 -50.36 31.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.059 -0.519 . . . . 12.83 110.795 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 70' ' ' VAL . . . . . . . . . . . . . 91.8 t -75.77 -23.23 16.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.054 -0.521 . . . . 15.35 111.044 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -63.42 -44.15 95.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.313 -0.403 . . . . 24.859999999999999 110.635 179.764 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 43.9 t0 -69.94 -40.95 75.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.106 -0.497 . . . . 28.140000000000001 110.751 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 73' ' ' THR . . . . . 0.472 HG21 ' CZ ' ' A' ' 78' ' ' TYR . 99.4 m -54.86 -59.14 5.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.131 -0.486 . . . . 21.030000000000001 110.799 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 74' ' ' LEU . . . . . 0.65 HD23 HD12 ' D' ' 77' ' ' LEU . 72.7 mt -50.27 -38.78 42.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.434 . . . . 21.289999999999999 110.786 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 75' ' ' LYS . . . . . . . . . . . . . 44.9 tttm -52.64 -51.98 57.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 27.859999999999999 110.652 179.758 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 76' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -68.5 -32.33 72.23 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.876 -0.602 . . . . 31.219999999999999 110.605 179.725 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 77' ' ' LEU . . . . . 0.65 HD12 HD23 ' D' ' 74' ' ' LEU . 20.3 mt -61.77 -44.79 96.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 30.800000000000001 110.581 179.743 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 78' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -84.45 -27.16 27.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.036 -0.529 . . . . 33.119999999999997 110.647 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 79' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 39.170000000000002 110.794 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.769 ' HB1' ' HB3' ' B' ' 78' ' ' TYR . . . . . . . . 0 N--CA 1.456 -0.139 0 CA-C-O 120.861 0.362 . . . . 31.690000000000001 110.799 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -70.66 -55.29 9.07 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.193 -0.458 . . . . 29.149999999999999 110.446 179.674 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.09 -42.78 99.14 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.912 -0.585 . . . . 28.550000000000001 110.339 179.574 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.47 HD23 ' HA ' ' A' ' 58' ' ' LEU . 16.2 mt -57.79 -50.13 74.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.767 -0.651 . . . . 30.420000000000002 110.762 179.648 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -49.99 -36.11 27.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.235 -0.439 . . . . 25.120000000000001 110.876 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -71.37 -32.03 68.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.129 -0.487 . . . . 25.550000000000001 110.518 179.739 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -72.54 -42.68 64.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.076 -0.511 . . . . 26.969999999999999 110.503 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.729 ' HA ' HD12 ' A' ' 65' ' ' LEU . 42.5 mm-40 -62.64 -49.23 76.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.917 -0.583 . . . . 19.0 110.507 179.725 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.0 m -58.93 -35.14 72.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.104 -0.498 . . . . 16.140000000000001 110.512 179.686 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.6 -47.83 84.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.043 -0.526 . . . . 18.309999999999999 110.511 179.691 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.729 HD12 ' HA ' ' A' ' 62' ' ' GLN . 2.8 mt -57.82 -39.69 78.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 18.109999999999999 110.382 179.736 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.448 ' O ' HG23 ' A' ' 70' ' ' VAL . 55.7 t -71.52 -51.58 32.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.048 -0.524 . . . . 10.02 110.839 179.639 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 6.9 tttt -57.23 -46.07 83.32 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.176 -0.465 . . . . 16.920000000000002 110.406 179.587 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 15.0 ttmt -65.32 -39.5 92.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 22.190000000000001 110.207 179.465 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 5.4 tmm? -64.06 -37.43 87.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.841 -0.618 . . . . 9.3399999999999999 110.265 179.488 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.45 HG13 ' HG ' ' A' ' 74' ' ' LEU . 75.7 t -72.78 -38.01 56.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.006 -0.543 . . . . 6.8099999999999996 110.765 179.76 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.51 ' CE1' ' HD3' ' A' ' 75' ' ' LYS . 10.3 t80 -54.73 -56.85 14.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.461 -0.336 . . . . 18.079999999999998 110.518 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -53.81 -45.3 70.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.259 -0.428 . . . . 12.140000000000001 110.558 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.3 m -65.52 -67.4 0.44 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 11.109999999999999 110.279 179.635 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.471 ' HB3' ' CE2' ' A' ' 78' ' ' TYR . 12.2 mt -50.69 -36.97 38.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.309 -0.405 . . . . 18.260000000000002 110.826 179.842 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.51 ' HD3' ' CE1' ' A' ' 71' ' ' PHE . 3.9 ttpp -54.31 -69.29 0.13 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.128 -0.487 . . . . 21.350000000000001 110.115 179.41 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -62.07 -32.45 72.98 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.626 -0.715 . . . . 16.690000000000001 110.952 179.719 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.748 ' O ' HD12 ' A' ' 77' ' ' LEU . 0.7 OUTLIER -61.81 -52.5 63.93 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.433 -0.349 . . . . 19.390000000000001 110.451 179.867 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.515 ' CD1' HD11 ' D' ' 77' ' ' LEU . 20.6 m-85 -65.59 -19.84 66.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.302 -0.408 . . . . 26.34 110.751 179.434 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 5.7 ttmm -74.64 -27.63 60.52 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.259 -0.428 . . . . 27.309999999999999 110.614 179.556 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.48 -28.47 63.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 30.859999999999999 110.914 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 34.240000000000002 110.951 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 3.9 p30 . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.937 0.399 . . . . 32.979999999999997 110.837 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -54.7 -29.31 52.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.092 -0.503 . . . . 31.989999999999998 111.027 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -73.8 -54.36 8.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 29.149999999999999 110.907 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 5.7 mtm-85 -53.24 -43.23 67.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 22.309999999999999 110.868 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 58' ' ' LEU . . . . . 0.898 HD22 HG23 ' D' ' 73' ' ' THR . 81.8 mt -59.34 -59.56 5.26 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.129 -0.487 . . . . 17.870000000000001 110.734 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -49.02 -30.88 6.66 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.998 -0.546 . . . . 18.739999999999998 111.022 179.733 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 39.7 t0 -71.76 -62.23 1.49 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 23.079999999999998 110.712 179.703 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -57.41 -37.57 72.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 17.039999999999999 110.557 179.738 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 62' ' ' GLN . . . . . 0.447 ' O ' HG23 ' B' ' 66' ' ' VAL . 0.1 OUTLIER -71.14 -41.98 69.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.025 -0.534 . . . . 14.92 110.686 179.731 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 81.2 p -68.66 -56.33 8.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.235 -0.439 . . . . 12.69 110.773 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -49.96 -30.76 11.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.299 -0.41 . . . . 7.71 110.597 179.602 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.75 -44.22 86.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.972 -0.558 . . . . 5.6600000000000001 110.58 179.629 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 66' ' ' VAL . . . . . 0.447 HG23 ' O ' ' B' ' 62' ' ' GLN . 13.3 t -60.93 -33.05 54.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.017 -0.538 . . . . 5.9500000000000002 110.881 179.751 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 4.9 ttmt -61.75 -62.83 1.52 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.044 -0.525 . . . . 15.539999999999999 110.667 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 18.1 mttt -55.35 -27.12 45.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.22 -0.445 . . . . 18.379999999999999 110.481 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 69' ' ' MET . . . . . . . . . . . . . 29.4 ttp -74.88 -52.42 11.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 12.91 110.649 179.733 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.433 HG23 ' O ' ' B' ' 66' ' ' VAL . 59.9 t -73.57 -22.91 19.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.09 -0.504 . . . . 15.199999999999999 110.899 179.722 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -66.14 -45.34 81.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.329 -0.396 . . . . 24.780000000000001 110.376 179.582 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -63.78 -41.62 97.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.086 -0.506 . . . . 28.239999999999998 110.497 179.6 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 73' ' ' THR . . . . . 0.906 HG23 HD22 ' D' ' 58' ' ' LEU . 74.1 m -60.62 -57.31 13.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.112 -0.495 . . . . 22.260000000000002 110.839 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 74' ' ' LEU . . . . . 0.607 ' HA ' HD12 ' B' ' 77' ' ' LEU . 30.4 mt -51.15 -42.85 61.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.262 -0.426 . . . . 20.789999999999999 110.745 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 19.2 tttt -50.99 -42.17 60.05 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.271 -0.422 . . . . 26.300000000000001 110.559 179.79 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 76' ' ' ASP . . . . . 0.403 ' N ' ' OD1' ' B' ' 76' ' ' ASP . 0.7 OUTLIER -78.04 -30.37 49.84 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.98 -0.554 . . . . 29.739999999999998 110.548 179.554 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.612 HD11 ' CD1' ' C' ' 78' ' ' TYR . 43.8 mt -64.02 -46.58 83.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.913 -0.585 . . . . 30.199999999999999 110.47 179.696 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 78' ' ' TYR . . . . . 0.769 ' HB3' ' HB1' ' A' ' 55' ' ' ALA . 5.6 m-85 -79.19 -39.39 33.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.987 -0.551 . . . . 31.550000000000001 110.611 179.756 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 3.8 ttmm . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.103 -0.499 . . . . 40.25 110.743 179.931 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' C' C ' 55' ' ' ALA . . . . . 0.736 ' HB1' ' HB3' ' D' ' 78' ' ' TYR . . . . . . . . 0 N--CA 1.455 -0.2 0 CA-C-O 120.909 0.385 . . . . 35.140000000000001 110.907 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -70.35 -55.37 9.29 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.125 -0.488 . . . . 30.469999999999999 110.497 179.665 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.06 -42.82 99.21 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.861 -0.609 . . . . 37.600000000000001 110.358 179.553 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 58' ' ' LEU . . . . . 0.474 HD23 ' HA ' ' C' ' 58' ' ' LEU . 16.0 mt -57.84 -49.98 74.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.733 -0.667 . . . . 26.510000000000002 110.701 179.717 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -50.23 -36.01 29.14 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.163 -0.471 . . . . 20.550000000000001 110.886 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -71.32 -32.11 68.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 20.18 110.497 179.689 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -72.33 -42.65 65.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.071 -0.513 . . . . 22.289999999999999 110.584 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 62' ' ' GLN . . . . . 0.728 ' HA ' HD12 ' C' ' 65' ' ' LEU . 42.7 mm-40 -62.7 -49.23 75.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.958 -0.565 . . . . 24.77 110.516 179.768 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 63' ' ' SER . . . . . . . . . . . . . 4.1 m -58.84 -35.2 72.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.104 -0.498 . . . . 16.789999999999999 110.486 179.689 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.62 -47.93 83.67 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.082 -0.508 . . . . 25.309999999999999 110.593 179.687 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 65' ' ' LEU . . . . . 0.728 HD12 ' HA ' ' C' ' 62' ' ' GLN . 2.9 mt -57.49 -39.98 77.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.119 -0.491 . . . . 17.609999999999999 110.384 179.597 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 66' ' ' VAL . . . . . 0.453 ' O ' HG23 ' C' ' 70' ' ' VAL . 55.5 t -71.24 -51.67 32.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.013 -0.54 . . . . 14.9 110.857 179.678 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 67' ' ' LYS . . . . . . . . . . . . . 6.8 tttt -57.32 -45.93 83.75 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.101 -0.5 . . . . 11.32 110.492 179.588 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 68' ' ' LYS . . . . . . . . . . . . . 15.0 ttmt -65.41 -39.66 92.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 12.279999999999999 110.116 179.467 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 69' ' ' MET . . . . . . . . . . . . . 5.4 tmm? -63.85 -37.57 87.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.867 -0.606 . . . . 8.2300000000000004 110.325 179.47 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 70' ' ' VAL . . . . . 0.453 HG23 ' O ' ' C' ' 66' ' ' VAL . 76.1 t -72.67 -38.17 57.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.012 -0.54 . . . . 9.0299999999999994 110.751 179.74 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 71' ' ' PHE . . . . . 0.517 ' CE1' ' HD3' ' C' ' 75' ' ' LYS . 10.1 t80 -54.53 -56.91 13.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.485 -0.325 . . . . 11.77 110.438 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -53.74 -45.17 70.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.265 -0.425 . . . . 11.94 110.624 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 73' ' ' THR . . . . . . . . . . . . . 18.9 m -65.63 -67.14 0.46 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 12.23 110.419 179.58 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 74' ' ' LEU . . . . . 0.485 ' HB3' ' CE2' ' C' ' 78' ' ' TYR . 12.5 mt -51.16 -36.57 41.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.276 -0.42 . . . . 13.9 110.796 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 75' ' ' LYS . . . . . 0.517 ' HD3' ' CE1' ' C' ' 71' ' ' PHE . 3.9 ttpp -54.48 -69.19 0.13 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.128 0.49 . . . . 13.529999999999999 110.203 179.249 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 76' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -62.2 -32.28 72.9 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.646 -0.706 . . . . 16.940000000000001 110.936 179.675 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 77' ' ' LEU . . . . . 0.741 ' O ' HD12 ' C' ' 77' ' ' LEU . 0.7 OUTLIER -62.0 -52.56 63.5 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.452 -0.34 . . . . 21.059999999999999 110.376 179.905 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' C' C ' 78' ' ' TYR . . . . . 0.612 ' CD1' HD11 ' B' ' 77' ' ' LEU . 20.7 m-85 -65.59 -19.78 66.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.324 -0.398 . . . . 24.449999999999999 110.691 179.511 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 5.8 ttmm -74.65 -27.49 60.45 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.319 -0.4 . . . . 26.93 110.621 179.564 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.65 -28.38 63.72 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.196 -0.457 . . . . 27.359999999999999 110.929 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.086 -0.506 . . . . 33.630000000000003 110.923 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 3.9 p30 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.843 0.354 . . . . 35.649999999999999 110.953 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' D' D ' 55' ' ' ALA . . . . . . . . . . . . . . . -54.97 -29.16 56.25 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.064 -0.517 . . . . 30.699999999999999 111.013 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -73.8 -54.42 8.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.473 . . . . 30.84 110.866 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 57' ' ' ARG . . . . . . . . . . . . . 5.7 mtm-85 -53.18 -43.2 66.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 27.190000000000001 110.907 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 58' ' ' LEU . . . . . 0.906 HD22 HG23 ' B' ' 73' ' ' THR . 81.4 mt -59.47 -59.23 5.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.085 -0.507 . . . . 22.07 110.751 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 59' ' ' ALA . . . . . . . . . . . . . . . -49.27 -30.88 7.9 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.967 -0.56 . . . . 19.300000000000001 110.987 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 60' ' ' ASP . . . . . . . . . . . . . 39.7 t0 -71.86 -62.29 1.47 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.083 -0.508 . . . . 16.850000000000001 110.738 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 61' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -57.24 -37.73 72.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 11.039999999999999 110.555 179.747 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 62' ' ' GLN . . . . . 0.453 ' HB3' ' CD1' ' C' ' 74' ' ' LEU . 0.0 OUTLIER -71.05 -42.01 70.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.004 -0.544 . . . . 11.06 110.764 179.676 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' D' D ' 63' ' ' SER . . . . . . . . . . . . . 80.8 p -68.64 -56.19 9.02 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.204 -0.453 . . . . 16.620000000000001 110.722 179.779 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 64' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -50.06 -30.69 11.35 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.966 0.413 . . . . 15.380000000000001 110.584 179.687 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.9 -44.11 86.25 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.937 -0.574 . . . . 9.7300000000000004 110.552 179.731 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 66' ' ' VAL . . . . . 0.443 HG23 ' O ' ' D' ' 62' ' ' GLN . 13.7 t -61.01 -33.36 55.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.12 -0.491 . . . . 8.75 110.918 179.724 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 67' ' ' LYS . . . . . . . . . . . . . 4.8 ttmt -61.36 -62.88 1.52 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 14.630000000000001 110.66 179.744 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 68' ' ' LYS . . . . . . . . . . . . . 18.0 mttt -55.2 -27.2 44.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 8.0 110.548 179.733 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 69' ' ' MET . . . . . 0.438 ' HE2' ' HB3' ' D' ' 69' ' ' MET . 29.2 ttp -74.93 -52.37 11.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.028 -0.533 . . . . 10.890000000000001 110.554 179.724 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 70' ' ' VAL . . . . . 0.434 HG23 ' O ' ' D' ' 66' ' ' VAL . 58.1 t -73.48 -23.06 19.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 10.93 110.907 179.789 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -66.0 -45.62 80.89 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.967 0.413 . . . . 18.23 110.466 179.557 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -63.62 -41.53 98.27 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.991 -0.55 . . . . 23.989999999999998 110.484 179.67 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 73' ' ' THR . . . . . 0.898 HG23 HD22 ' B' ' 58' ' ' LEU . 68.0 m -60.68 -57.62 11.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.1 -0.5 . . . . 23.140000000000001 110.815 179.8 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 74' ' ' LEU . . . . . 0.61 ' HA ' HD12 ' D' ' 77' ' ' LEU . 30.4 mt -50.74 -42.97 58.05 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.217 -0.447 . . . . 27.170000000000002 110.759 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 75' ' ' LYS . . . . . . . . . . . . . 19.2 tttt -50.93 -42.35 59.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 29.690000000000001 110.567 179.734 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 76' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -77.94 -30.49 50.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.007 -0.542 . . . . 28.84 110.539 179.594 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 77' ' ' LEU . . . . . 0.61 HD12 ' HA ' ' D' ' 74' ' ' LEU . 46.1 mt -63.7 -46.93 83.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.921 -0.581 . . . . 28.559999999999999 110.592 179.612 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 78' ' ' TYR . . . . . 0.736 ' HB3' ' HB1' ' C' ' 55' ' ' ALA . 5.7 m-85 -79.01 -39.05 35.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.938 -0.574 . . . . 34.43 110.729 179.741 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 79' ' ' LYS . . . . . . . . . . . . . 3.7 ttmm . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 42.609999999999999 110.81 179.895 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.415 ' O ' ' CB ' ' A' ' 59' ' ' ALA . . . . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.796 0.331 . . . . 30.449999999999999 110.798 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -66.9 -54.55 21.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 27.84 110.503 179.584 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.435 ' HG3' ' N ' ' A' ' 58' ' ' LEU . 6.2 ptp180 -68.65 -41.9 78.71 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.858 -0.61 . . . . 28.68 110.34 179.516 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.635 ' C ' HD13 ' A' ' 58' ' ' LEU . 2.2 tm? -62.84 -48.75 77.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.823 -0.626 . . . . 28.77 110.441 179.5 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.415 ' CB ' ' O ' ' A' ' 55' ' ' ALA . . . -58.4 -36.78 74.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.022 -0.535 . . . . 25.370000000000001 110.882 179.767 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -53.59 -51.36 63.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.429 . . . . 26.75 110.51 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.45 -39.8 92.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.042 -0.527 . . . . 27.48 110.65 179.752 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.449 ' HB2' ' CD1' ' B' ' 74' ' ' LEU . 77.9 mm-40 -59.16 -60.09 4.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.014 -0.539 . . . . 19.600000000000001 110.689 179.715 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 9.8 p -58.33 -30.03 66.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 16.140000000000001 110.552 179.729 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -59.27 -55.52 33.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.046 -0.525 . . . . 18.600000000000001 110.54 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 8.3 mt -54.3 -40.45 67.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.101 -0.499 . . . . 17.18 110.412 179.567 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 53.6 t -64.62 -50.62 74.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.027 -0.533 . . . . 9.9900000000000002 110.8 179.564 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 24.3 tttt -59.06 -47.32 85.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.024 -0.534 . . . . 17.960000000000001 110.529 179.666 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 22.3 ttpt -58.62 -37.75 76.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.084 -0.507 . . . . 21.670000000000002 110.637 179.727 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.401 ' HE2' HG21 ' C' ' 73' ' ' THR . 29.6 ttp -64.43 -38.58 91.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.09 -0.505 . . . . 8.4600000000000009 110.505 179.656 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.416 HG13 ' HG ' ' A' ' 74' ' ' LEU . 73.7 t -74.37 -40.89 50.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.945 -0.571 . . . . 5.9900000000000002 110.966 179.784 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.508 ' CZ ' ' HD3' ' A' ' 75' ' ' LYS . 15.6 t80 -51.78 -64.24 0.88 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.462 -0.336 . . . . 16.489999999999998 110.622 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -51.1 -40.78 59.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.901 0.382 . . . . 10.49 110.611 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.413 HG21 ' HE2' ' C' ' 69' ' ' MET . 21.5 m -65.58 -71.11 0.2 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.071 -0.513 . . . . 12.550000000000001 110.314 179.617 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.46 ' CD1' ' HB3' ' B' ' 62' ' ' GLN . 18.2 mt -51.79 -34.61 40.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.091 -0.504 . . . . 19.16 111.06 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.508 ' HD3' ' CZ ' ' A' ' 71' ' ' PHE . 6.1 tttp -55.55 -64.28 0.9 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.112 0.482 . . . . 22.379999999999999 110.102 179.513 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -66.66 -35.77 80.94 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.677 -0.692 . . . . 16.75 110.776 179.684 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.567 ' O ' HD12 ' A' ' 77' ' ' LEU . 1.2 tp -61.23 -59.07 5.88 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.228 -0.442 . . . . 20.079999999999998 110.715 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.483 ' OH ' HG13 ' D' ' 70' ' ' VAL . 21.9 m-30 -59.91 -28.89 67.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.292 -0.413 . . . . 26.73 110.668 179.727 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 25.6 mttt -68.08 -28.46 67.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 28.079999999999998 110.623 179.758 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 4.9 tttt -65.27 -46.79 79.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.486 . . . . 31.57 110.914 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.719 ' OG1' HD22 ' D' ' 77' ' ' LEU . 78.1 p . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 116.012 -0.54 . . . . 35.0 110.994 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.732 0.301 . . . . 32.799999999999997 110.824 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.28 -45.17 80.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 32.159999999999997 111.133 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -61.33 -47.44 85.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 29.710000000000001 110.88 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 10.1 mmm180 -59.34 -40.5 86.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 22.629999999999999 110.83 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 58' ' ' LEU . . . . . 0.805 HD13 ' CG2' ' D' ' 73' ' ' THR . 91.9 mt -61.43 -57.33 12.64 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.994 -0.548 . . . . 17.870000000000001 110.945 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -47.69 -31.5 4.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.018 -0.537 . . . . 18.73 111.1 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -76.35 -53.74 7.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.07 -0.513 . . . . 23.010000000000002 110.761 179.756 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -60.56 -34.16 73.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 16.52 110.719 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 62' ' ' GLN . . . . . 0.653 ' O ' HG23 ' B' ' 66' ' ' VAL . 0.1 OUTLIER -77.07 -45.69 26.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 15.130000000000001 110.943 179.864 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 72.1 p -62.35 -52.52 63.29 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.319 -0.4 . . . . 12.84 110.623 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -54.15 -37.71 64.72 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.143 -0.48 . . . . 7.9299999999999997 110.594 179.677 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.48 -41.59 97.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.048 -0.524 . . . . 5.5899999999999999 110.69 179.774 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 66' ' ' VAL . . . . . 0.653 HG23 ' O ' ' B' ' 62' ' ' GLN . 3.5 t -62.23 -38.26 80.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.278 -0.419 . . . . 6.46 111.095 179.79 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 1.9 ttpm? -57.19 -60.24 3.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.091 -0.504 . . . . 15.23 110.846 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 2.3 mtmp? -53.16 -34.44 56.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 16.260000000000002 110.824 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 69' ' ' MET . . . . . . . . . . . . . 24.6 ttp -67.16 -49.28 65.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 12.869999999999999 110.78 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.417 HG13 ' OH ' ' C' ' 78' ' ' TYR . 86.7 t -74.09 -27.72 22.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.047 -0.524 . . . . 15.25 111.029 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 37.1 t80 -63.12 -42.41 99.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.297 -0.41 . . . . 24.859999999999999 110.655 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -64.42 -51.76 61.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.091 -0.504 . . . . 27.280000000000001 110.749 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 73' ' ' THR . . . . . 0.83 ' CG2' HD13 ' D' ' 58' ' ' LEU . 55.3 m -55.66 -49.51 72.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 21.579999999999998 110.906 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 74' ' ' LEU . . . . . 0.704 HD23 HD12 ' B' ' 77' ' ' LEU . 19.2 mt -56.15 -43.9 78.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 20.690000000000001 110.959 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 3.0 ttpt -49.83 -44.71 49.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.343 -0.39 . . . . 26.870000000000001 110.793 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -74.13 -36.56 64.19 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.015 -0.539 . . . . 30.289999999999999 110.512 179.69 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.808 HD22 ' OG1' ' C' ' 81' ' ' THR . 11.3 mt -55.15 -47.62 74.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.008 -0.542 . . . . 30.32 110.748 179.743 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 78' ' ' TYR . . . . . 0.518 ' CE1' HD12 ' A' ' 58' ' ' LEU . 2.5 m-85 -74.57 -45.98 41.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.02 -0.536 . . . . 31.829999999999998 111.027 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 4.0 mtmt . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.293 -0.412 . . . . 40.259999999999998 110.772 179.928 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' C' C ' 55' ' ' ALA . . . . . 0.411 ' O ' ' CB ' ' C' ' 59' ' ' ALA . . . . . . . . 0 N--CA 1.456 -0.143 0 CA-C-O 120.886 0.374 . . . . 33.899999999999999 110.809 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -66.96 -54.49 21.44 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.11 -0.496 . . . . 29.449999999999999 110.452 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 57' ' ' ARG . . . . . 0.446 ' HG3' ' N ' ' C' ' 58' ' ' LEU . 6.3 ptp180 -68.71 -41.8 78.6 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.939 -0.573 . . . . 37.990000000000002 110.359 179.534 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 58' ' ' LEU . . . . . 0.633 ' C ' HD13 ' C' ' 58' ' ' LEU . 2.2 tm? -62.89 -48.66 78.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.699 -0.682 . . . . 26.030000000000001 110.473 179.491 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 59' ' ' ALA . . . . . 0.411 ' CB ' ' O ' ' C' ' 55' ' ' ALA . . . -58.36 -37.0 74.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.021 -0.536 . . . . 20.59 110.883 179.752 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -53.57 -51.2 63.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.074 -0.512 . . . . 19.52 110.567 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.54 -39.7 92.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.125 -0.489 . . . . 21.57 110.635 179.764 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 62' ' ' GLN . . . . . 0.439 ' HB2' ' CD1' ' D' ' 74' ' ' LEU . 78.8 mm-40 -59.24 -60.01 4.55 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.039 -0.528 . . . . 24.100000000000001 110.727 179.761 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 63' ' ' SER . . . . . . . . . . . . . 10.5 p -58.41 -30.14 66.63 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.125 -0.489 . . . . 17.370000000000001 110.496 179.731 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -59.03 -55.65 32.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.061 -0.518 . . . . 25.68 110.568 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 65' ' ' LEU . . . . . . . . . . . . . 8.3 mt -54.32 -40.27 67.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.146 -0.479 . . . . 18.25 110.441 179.608 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 66' ' ' VAL . . . . . . . . . . . . . 54.1 t -64.87 -50.48 74.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.095 -0.502 . . . . 14.93 110.724 179.56 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 67' ' ' LYS . . . . . . . . . . . . . 24.3 tttt -59.14 -47.36 85.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.068 -0.514 . . . . 9.3399999999999999 110.507 179.677 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 68' ' ' LYS . . . . . . . . . . . . . 22.4 ttpt -58.53 -38.04 76.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 13.449999999999999 110.575 179.78 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 69' ' ' MET . . . . . 0.413 ' HE2' HG21 ' A' ' 73' ' ' THR . 29.7 ttp -64.14 -38.46 91.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 7.9199999999999999 110.57 179.647 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 70' ' ' VAL . . . . . 0.418 HG13 ' HG ' ' C' ' 74' ' ' LEU . 72.7 t -74.64 -40.86 48.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.994 -0.548 . . . . 9.4199999999999999 110.96 179.799 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 71' ' ' PHE . . . . . 0.504 ' CZ ' ' HD3' ' C' ' 75' ' ' LYS . 15.6 t80 -51.69 -64.44 0.81 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.403 -0.362 . . . . 13.24 110.695 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -50.92 -40.81 58.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.866 0.365 . . . . 13.07 110.576 179.754 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 73' ' ' THR . . . . . 0.401 HG21 ' HE2' ' A' ' 69' ' ' MET . 21.7 m -65.6 -71.09 0.2 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 11.48 110.347 179.644 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 74' ' ' LEU . . . . . 0.458 ' CD1' ' HB3' ' D' ' 62' ' ' GLN . 18.0 mt -51.77 -34.65 40.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 13.35 111.048 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 75' ' ' LYS . . . . . 0.504 ' HD3' ' CZ ' ' C' ' 71' ' ' PHE . 6.1 tttp -55.6 -63.93 1.01 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.222 -0.444 . . . . 14.0 110.191 179.532 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 76' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -67.07 -35.32 79.58 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.643 -0.708 . . . . 17.629999999999999 110.859 179.667 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 77' ' ' LEU . . . . . 0.56 ' O ' HD12 ' C' ' 77' ' ' LEU . 1.3 tp -61.51 -58.88 6.38 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.26 -0.427 . . . . 21.34 110.736 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 78' ' ' TYR . . . . . 0.417 ' OH ' HG13 ' B' ' 70' ' ' VAL . 21.9 m-30 -60.16 -29.01 68.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 25.350000000000001 110.621 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 25.8 mttt -67.9 -28.4 67.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 25.960000000000001 110.679 179.634 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 4.8 tttt -65.34 -46.64 79.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.074 -0.512 . . . . 27.989999999999998 110.936 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 81' ' ' THR . . . . . 0.808 ' OG1' HD22 ' B' ' 77' ' ' LEU . 74.8 p . . . . . 0 C--N 1.327 -0.392 0 CA-C-N 116.057 -0.519 . . . . 33.049999999999997 110.953 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.817 0.341 . . . . 33.32 110.837 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' D' D ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.37 -45.26 80.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 30.059999999999999 111.144 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -61.19 -47.69 84.97 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.243 -0.435 . . . . 31.239999999999998 110.836 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 57' ' ' ARG . . . . . . . . . . . . . 10.1 mmm180 -59.1 -40.55 85.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 25.789999999999999 110.815 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 58' ' ' LEU . . . . . 0.83 HD13 ' CG2' ' B' ' 73' ' ' THR . 91.6 mt -61.5 -57.2 13.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.062 -0.517 . . . . 22.370000000000001 110.923 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 59' ' ' ALA . . . . . . . . . . . . . . . -47.76 -31.46 4.86 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.968 -0.56 . . . . 19.960000000000001 111.091 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 60' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -76.41 -53.61 7.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.997 -0.547 . . . . 17.27 110.723 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 61' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -60.49 -34.31 73.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.098 -0.501 . . . . 11.57 110.767 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 62' ' ' GLN . . . . . 0.654 ' O ' HG23 ' D' ' 66' ' ' VAL . 0.1 OUTLIER -76.99 -45.63 26.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 10.91 110.927 179.867 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' D' D ' 63' ' ' SER . . . . . . . . . . . . . 72.4 p -62.52 -52.52 63.13 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.361 -0.382 . . . . 16.670000000000002 110.666 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 64' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -54.2 -37.78 64.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 15.23 110.62 179.696 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 65' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.43 -41.69 97.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.006 -0.543 . . . . 9.9100000000000001 110.679 179.753 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 66' ' ' VAL . . . . . 0.654 HG23 ' O ' ' D' ' 62' ' ' GLN . 3.4 t -62.17 -38.31 80.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.253 -0.43 . . . . 8.0399999999999991 111.066 179.82 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 67' ' ' LYS . . . . . . . . . . . . . 1.9 ttpm? -57.16 -59.91 4.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.086 -0.506 . . . . 13.51 110.866 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 68' ' ' LYS . . . . . . . . . . . . . 2.3 mtmp? -53.44 -34.48 58.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 8.4100000000000001 110.808 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 69' ' ' MET . . . . . . . . . . . . . 24.9 ttp -67.06 -49.41 65.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 11.02 110.722 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 70' ' ' VAL . . . . . 0.483 HG13 ' OH ' ' A' ' 78' ' ' TYR . 92.1 t -73.83 -27.9 23.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.006 -0.543 . . . . 10.91 111.107 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 36.9 t80 -63.05 -42.36 99.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.279 -0.419 . . . . 18.27 110.722 179.759 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -64.53 -51.54 62.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 23.84 110.784 179.771 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 73' ' ' THR . . . . . 0.805 ' CG2' HD13 ' B' ' 58' ' ' LEU . 53.6 m -55.77 -49.62 72.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 24.02 110.887 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 74' ' ' LEU . . . . . 0.725 HD23 HD12 ' D' ' 77' ' ' LEU . 19.4 mt -56.06 -43.9 78.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 27.43 110.94 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 75' ' ' LYS . . . . . . . . . . . . . 3.0 ttpt -49.79 -44.89 49.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.286 -0.415 . . . . 28.82 110.777 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 76' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -73.92 -36.66 64.72 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.013 -0.54 . . . . 28.920000000000002 110.479 179.71 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 77' ' ' LEU . . . . . 0.725 HD12 HD23 ' D' ' 74' ' ' LEU . 11.5 mt -54.97 -47.89 73.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.055 -0.521 . . . . 29.079999999999998 110.809 179.712 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 78' ' ' TYR . . . . . 0.513 ' CE1' HD12 ' C' ' 58' ' ' LEU . 2.6 m-85 -74.29 -46.24 42.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.965 -0.562 . . . . 34.590000000000003 111.005 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 79' ' ' LYS . . . . . . . . . . . . . 4.0 mtmt . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.306 -0.406 . . . . 43.799999999999997 110.855 179.907 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.538 ' HB1' ' CB ' ' B' ' 78' ' ' TYR . . . . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.805 0.336 . . . . 35.469999999999999 110.625 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -67.62 -52.76 34.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 30.52 110.283 179.56 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 3.6 ttp180 -59.46 -45.95 90.16 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.819 -0.628 . . . . 39.07 110.28 179.507 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.449 HD23 ' HA ' ' A' ' 58' ' ' LEU . 18.5 mt -55.43 -45.01 76.79 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.811 -0.631 . . . . 29.190000000000001 110.494 179.615 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.638 ' HA ' HD13 ' B' ' 74' ' ' LEU . . . -52.2 -39.7 60.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.049 -0.523 . . . . 20.98 110.813 179.776 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -68.65 -36.31 78.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 18.440000000000001 110.668 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.45 -52.19 54.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.122 -0.49 . . . . 20.559999999999999 110.789 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.778 ' HA ' HD12 ' A' ' 65' ' ' LEU . 26.6 mm-40 -57.87 -47.06 83.84 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.075 -0.511 . . . . 23.559999999999999 110.373 179.688 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 7.3 p -56.64 -35.79 68.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.019 -0.537 . . . . 18.449999999999999 110.664 179.689 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -63.42 -37.75 88.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.085 -0.507 . . . . 26.829999999999998 110.798 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.778 HD12 ' HA ' ' A' ' 62' ' ' GLN . 7.0 mt -67.31 -35.35 79.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.491 . . . . 19.370000000000001 110.581 179.786 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.511 ' O ' HG23 ' A' ' 70' ' ' VAL . 60.5 t -80.65 -33.46 13.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.125 -0.489 . . . . 15.06 111.053 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.3 tttt -76.49 -30.55 57.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 8.7200000000000006 110.523 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.427 ' HG3' ' N ' ' A' ' 69' ' ' MET . 0.4 OUTLIER -75.82 -39.75 56.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.063 -0.517 . . . . 13.949999999999999 110.437 179.569 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.427 ' N ' ' HG3' ' A' ' 68' ' ' LYS . 13.9 ptt? -66.56 -32.2 73.39 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.092 -0.504 . . . . 8.8900000000000006 110.732 179.769 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 66' ' ' VAL . 53.5 t -73.65 -44.13 53.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.078 -0.51 . . . . 9.2100000000000009 110.756 179.649 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.427 ' O ' ' CB ' ' A' ' 75' ' ' LYS . 10.7 t80 -50.72 -58.0 6.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.428 -0.351 . . . . 16.120000000000001 110.61 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -51.84 -44.27 63.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.369 -0.378 . . . . 14.359999999999999 110.467 179.648 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.418 HG21 ' HE1' ' C' ' 69' ' ' MET . 18.8 m -64.88 -70.44 0.23 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.032 -0.531 . . . . 10.0 110.441 179.557 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.472 ' CD1' ' HB3' ' B' ' 62' ' ' GLN . 14.4 mt -50.05 -36.7 30.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.463 . . . . 12.84 111.053 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.427 ' CB ' ' O ' ' A' ' 71' ' ' PHE . 3.5 tttp -54.63 -69.15 0.14 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.095 -0.502 . . . . 15.06 110.28 179.528 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.33 -30.69 71.35 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.715 -0.675 . . . . 18.219999999999999 110.831 179.611 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.596 ' C ' HD12 ' A' ' 77' ' ' LEU . 0.9 OUTLIER -64.68 -65.66 0.65 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.383 -0.371 . . . . 21.309999999999999 110.747 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.677 ' OH ' HG13 ' D' ' 70' ' ' VAL . 18.6 m-85 -54.73 -22.63 14.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.439 -0.346 . . . . 26.75 110.891 179.808 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 3.9 tppt? -70.57 -34.64 72.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.365 -0.379 . . . . 25.68 110.84 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 13.1 tttt -72.04 -32.45 67.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 29.16 110.89 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.439 ' OG1' HD13 ' D' ' 77' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.485 . . . . 33.799999999999997 110.894 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.75 0.309 . . . . 32.539999999999999 110.989 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -53.43 -31.65 46.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.314 -0.403 . . . . 29.370000000000001 111.189 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -80.82 -41.23 23.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.448 . . . . 33.700000000000003 110.984 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 26.3 mtt180 -62.59 -31.59 72.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.446 . . . . 25.190000000000001 111.077 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 58' ' ' LEU . . . . . 0.962 HD13 ' CG2' ' D' ' 73' ' ' THR . 60.1 mt -74.11 -50.1 20.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 22.07 111.059 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.88 -40.33 60.46 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.163 -0.472 . . . . 20.460000000000001 111.108 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.34 -55.59 7.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.092 -0.504 . . . . 21.82 111.025 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -56.73 -42.17 78.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 12.58 110.936 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 62' ' ' GLN . . . . . 0.474 ' O ' HG23 ' B' ' 66' ' ' VAL . 0.0 OUTLIER -67.84 -39.91 83.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.19 -0.459 . . . . 10.6 111.222 -179.81 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 2.8 p -65.76 -57.18 8.59 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.487 -0.324 . . . . 16.379999999999999 110.909 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 64' ' ' GLU . . . . . 0.422 ' HG3' ' N ' ' B' ' 65' ' ' LEU . 8.1 pt-20 -48.47 -32.97 8.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.315 -0.402 . . . . 17.309999999999999 110.935 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 65' ' ' LEU . . . . . 0.422 ' N ' ' HG3' ' B' ' 64' ' ' GLU . 0.0 OUTLIER -65.96 -44.99 83.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.04 -0.527 . . . . 10.470000000000001 110.624 179.841 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 66' ' ' VAL . . . . . 0.474 HG23 ' O ' ' B' ' 62' ' ' GLN . 19.8 t -57.73 -37.49 59.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.31 -0.404 . . . . 8.0999999999999996 110.766 179.765 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 75.1 tttt -60.12 -55.5 33.09 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.004 -0.544 . . . . 11.279999999999999 110.698 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 23.9 mttt -56.44 -32.53 64.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 9.6500000000000004 110.721 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 69' ' ' MET . . . . . . . . . . . . . 41.1 ttp -71.22 -50.92 27.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 11.23 110.784 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.777 HG13 ' OH ' ' C' ' 78' ' ' TYR . 60.8 t -75.08 -22.3 16.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 10.960000000000001 111.15 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -63.29 -46.38 87.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.871 0.367 . . . . 17.879999999999999 110.54 179.789 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.47 -46.11 77.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.116 -0.493 . . . . 24.379999999999999 110.586 179.762 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 73' ' ' THR . . . . . 0.938 ' CG2' HD13 ' D' ' 58' ' ' LEU . 87.1 m -52.07 -53.13 45.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.093 -0.503 . . . . 24.73 110.856 179.804 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 74' ' ' LEU . . . . . 0.638 HD13 ' HA ' ' A' ' 59' ' ' ALA . 46.5 mt -54.3 -42.68 70.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 27.140000000000001 111.088 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.96 -46.95 52.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.32 -0.4 . . . . 27.780000000000001 110.844 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 76' ' ' ASP . . . . . 0.441 ' HA ' ' CG ' ' B' ' 79' ' ' LYS . 63.3 m-20 -72.31 -30.52 64.86 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.946 -0.57 . . . . 28.23 110.677 179.626 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.628 HD12 HD23 ' B' ' 74' ' ' LEU . 20.1 mt -65.56 -37.38 86.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.929 -0.578 . . . . 28.690000000000001 110.966 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 78' ' ' TYR . . . . . 0.538 ' CB ' ' HB1' ' A' ' 55' ' ' ALA . 15.4 m-85 -84.97 -61.34 1.8 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.446 . . . . 33.950000000000003 111.164 -179.688 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 79' ' ' LYS . . . . . 0.441 ' CG ' ' HA ' ' B' ' 76' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.207 -0.451 . . . . 43.509999999999998 111.285 -179.834 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 55' ' ' ALA . . . . . 0.546 ' HB1' ' CB ' ' D' ' 78' ' ' TYR . . . . . . . . 0 N--CA 1.457 -0.125 0 CA-C-O 120.892 0.377 . . . . 30.66 110.71 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -67.72 -52.6 35.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 27.050000000000001 110.435 179.476 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 57' ' ' ARG . . . . . . . . . . . . . 3.6 ttp180 -59.56 -46.19 89.63 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.86 -0.609 . . . . 26.359999999999999 110.242 179.474 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 58' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' C' ' 58' ' ' LEU . 18.7 mt -54.98 -45.25 74.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.718 -0.674 . . . . 27.489999999999998 110.552 179.595 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 59' ' ' ALA . . . . . 0.669 ' HA ' HD13 ' D' ' 74' ' ' LEU . . . -52.08 -39.67 60.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.988 -0.551 . . . . 24.329999999999998 110.851 179.74 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -68.66 -36.35 78.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 26.420000000000002 110.658 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.33 -52.25 55.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.069 -0.514 . . . . 27.199999999999999 110.817 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 62' ' ' GLN . . . . . 0.767 ' HA ' HD12 ' C' ' 65' ' ' LEU . 26.6 mm-40 -57.83 -47.07 83.7 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.025 -0.534 . . . . 20.02 110.483 179.7 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 63' ' ' SER . . . . . . . . . . . . . 8.4 p -56.6 -35.87 68.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.937 -0.574 . . . . 16.010000000000002 110.616 179.656 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -63.48 -37.68 88.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.484 . . . . 18.859999999999999 110.699 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 65' ' ' LEU . . . . . 0.767 HD12 ' HA ' ' C' ' 62' ' ' GLN . 6.9 mt -67.26 -35.47 79.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 15.99 110.552 179.806 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 66' ' ' VAL . . . . . 0.509 ' O ' HG23 ' C' ' 70' ' ' VAL . 61.0 t -80.5 -33.46 13.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.066 -0.516 . . . . 9.9800000000000004 111.047 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 67' ' ' LYS . . . . . 0.422 ' HG2' ' HB2' ' D' ' 63' ' ' SER . 4.3 tttt -76.31 -30.95 57.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 19.050000000000001 110.531 179.724 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 68' ' ' LYS . . . . . 0.422 ' HG3' ' N ' ' C' ' 69' ' ' MET . 0.4 OUTLIER -75.46 -39.92 58.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 19.23 110.38 179.585 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' C' C ' 69' ' ' MET . . . . . 0.422 ' N ' ' HG3' ' C' ' 68' ' ' LYS . 14.2 ptt? -66.5 -32.03 73.13 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.466 . . . . 8.3800000000000008 110.733 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 70' ' ' VAL . . . . . 0.509 HG23 ' O ' ' C' ' 66' ' ' VAL . 51.7 t -73.83 -43.79 52.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 4.75 110.743 179.741 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 71' ' ' PHE . . . . . 0.438 ' O ' ' CB ' ' C' ' 75' ' ' LYS . 10.8 t80 -51.06 -57.86 7.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.408 -0.36 . . . . 13.880000000000001 110.702 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -51.9 -44.37 63.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.869 0.366 . . . . 7.6200000000000001 110.417 179.654 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 73' ' ' THR . . . . . . . . . . . . . 19.1 m -64.84 -70.58 0.22 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.018 -0.537 . . . . 13.33 110.342 179.61 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 74' ' ' LEU . . . . . 0.464 ' CD1' ' HB3' ' D' ' 62' ' ' GLN . 14.4 mt -49.8 -36.87 27.82 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.24 -0.436 . . . . 19.030000000000001 111.052 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 75' ' ' LYS . . . . . 0.438 ' CB ' ' O ' ' C' ' 71' ' ' PHE . 3.5 tttp -54.48 -69.2 0.13 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.045 -0.525 . . . . 22.379999999999999 110.301 179.514 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 76' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.4 -30.61 71.33 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.757 -0.656 . . . . 15.44 110.887 179.677 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 77' ' ' LEU . . . . . 0.605 ' C ' HD12 ' C' ' 77' ' ' LEU . 0.8 OUTLIER -64.71 -65.44 0.67 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.317 -0.401 . . . . 19.579999999999998 110.699 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' C' C ' 78' ' ' TYR . . . . . 0.777 ' OH ' HG13 ' B' ' 70' ' ' VAL . 18.6 m-85 -54.81 -23.0 16.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 25.899999999999999 110.926 179.761 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 3.9 tppt? -70.29 -34.73 73.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.29 -0.414 . . . . 28.120000000000001 110.898 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 13.1 tttt -71.97 -32.58 67.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 30.120000000000001 110.931 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 34.130000000000003 110.886 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.822 0.344 . . . . 33.450000000000003 110.971 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' D' D ' 55' ' ' ALA . . . . . . . . . . . . . . . -53.37 -31.59 45.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 33.340000000000003 111.173 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -80.79 -41.36 23.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.431 . . . . 30.510000000000002 110.992 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 57' ' ' ARG . . . . . . . . . . . . . 25.6 mtt180 -62.45 -31.62 72.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.23 -0.441 . . . . 26.02 111.199 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 58' ' ' LEU . . . . . 0.938 HD13 ' CG2' ' B' ' 73' ' ' THR . 60.2 mt -74.05 -50.23 20.62 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.319 -0.401 . . . . 18.199999999999999 110.992 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.73 -40.32 60.02 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.138 -0.483 . . . . 18.370000000000001 111.021 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.5 -55.67 7.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.481 . . . . 23.469999999999999 110.895 -179.838 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 61' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -56.57 -42.31 78.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.094 -0.503 . . . . 16.219999999999999 110.971 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 62' ' ' GLN . . . . . 0.467 ' O ' HG23 ' D' ' 66' ' ' VAL . 0.0 OUTLIER -67.68 -40.03 84.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 15.109999999999999 111.264 -179.862 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' D' D ' 63' ' ' SER . . . . . 0.422 ' HB2' ' HG2' ' C' ' 67' ' ' LYS . 2.9 p -65.55 -57.14 8.91 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.769 0.318 . . . . 12.98 110.982 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 64' ' ' GLU . . . . . 0.411 ' HG3' ' N ' ' D' ' 65' ' ' LEU . 8.1 pt-20 -48.64 -33.09 9.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.34 -0.391 . . . . 9.9800000000000004 110.832 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 65' ' ' LEU . . . . . 0.411 ' N ' ' HG3' ' D' ' 64' ' ' GLU . 0.0 OUTLIER -65.69 -45.3 83.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.034 -0.53 . . . . 5.5800000000000001 110.651 179.765 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' D' D ' 66' ' ' VAL . . . . . 0.467 HG23 ' O ' ' D' ' 62' ' ' GLN . 20.8 t -57.64 -36.95 56.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.294 -0.412 . . . . 7.0199999999999996 110.853 179.781 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 67' ' ' LYS . . . . . . . . . . . . . 74.5 tttt -60.66 -55.4 33.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.004 -0.544 . . . . 18.98 110.786 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 68' ' ' LYS . . . . . . . . . . . . . 23.8 mttt -56.37 -32.66 64.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 15.51 110.729 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 69' ' ' MET . . . . . . . . . . . . . 40.1 ttp -71.1 -51.14 26.81 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.094 -0.503 . . . . 12.869999999999999 110.803 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 70' ' ' VAL . . . . . 0.677 HG13 ' OH ' ' A' ' 78' ' ' TYR . 59.4 t -74.88 -22.24 17.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 15.449999999999999 111.132 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -63.33 -46.11 88.18 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.296 -0.411 . . . . 24.870000000000001 110.705 179.757 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -66.78 -45.86 77.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.072 -0.513 . . . . 28.329999999999998 110.582 179.722 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 73' ' ' THR . . . . . 0.962 ' CG2' HD13 ' B' ' 58' ' ' LEU . 85.9 m -52.2 -52.95 49.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 20.809999999999999 110.869 179.823 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 74' ' ' LEU . . . . . 0.669 HD13 ' HA ' ' C' ' 59' ' ' ALA . 47.8 mt -54.43 -42.95 71.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.484 . . . . 21.559999999999999 111.119 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.57 -46.84 49.43 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.323 -0.399 . . . . 28.300000000000001 110.842 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 76' ' ' ASP . . . . . 0.438 ' HA ' ' CG ' ' D' ' 79' ' ' LYS . 63.4 m-20 -72.47 -30.31 64.44 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.006 -0.543 . . . . 30.969999999999999 110.682 179.642 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 77' ' ' LEU . . . . . 0.634 HD12 HD23 ' D' ' 74' ' ' LEU . 20.0 mt -65.91 -37.31 85.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.94 -0.573 . . . . 30.41 110.931 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 78' ' ' TYR . . . . . 0.546 ' CB ' ' HB1' ' C' ' 55' ' ' ALA . 15.2 m-85 -84.96 -61.18 1.84 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 33.049999999999997 111.176 -179.782 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 79' ' ' LYS . . . . . 0.438 ' CG ' ' HA ' ' D' ' 76' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.246 0 CA-C-N 116.183 -0.462 . . . . 39.450000000000003 111.351 -179.816 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.171 0 CA-C-O 120.834 0.35 . . . . 34.479999999999997 110.843 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -73.02 -52.47 14.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.065 -0.516 . . . . 29.699999999999999 110.405 179.642 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.409 ' HB3' ' NH1' ' A' ' 57' ' ' ARG . 8.3 mtm105 -63.39 -39.14 93.71 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.936 -0.574 . . . . 37.020000000000003 110.373 179.525 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.406 ' HA ' HD23 ' A' ' 58' ' ' LEU . 11.9 mt -59.93 -51.37 69.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.906 -0.588 . . . . 27.059999999999999 110.638 179.528 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -50.18 -36.02 28.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.1 -0.5 . . . . 20.039999999999999 110.885 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -67.99 -29.85 68.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.081 -0.509 . . . . 18.989999999999998 110.624 179.694 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -74.88 -50.73 15.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.058 -0.519 . . . . 21.260000000000002 110.771 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.571 ' HB2' HD13 ' B' ' 74' ' ' LEU . 64.7 mm-40 -53.89 -53.99 44.92 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.93 -0.577 . . . . 24.210000000000001 110.755 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.2 m -58.42 -39.0 78.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 16.699999999999999 110.622 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.402 ' O ' ' HG2' ' A' ' 67' ' ' LYS . 0.7 OUTLIER -56.53 -26.82 55.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 26.350000000000001 110.523 179.791 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.9 mt -79.83 -32.31 40.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 18.079999999999998 110.462 179.712 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.4 ' O ' HG23 ' A' ' 70' ' ' VAL . 21.4 t -78.84 -38.03 20.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.857 -0.61 . . . . 14.92 110.947 179.833 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.421 ' HG3' ' N ' ' A' ' 68' ' ' LYS . 2.1 ptmm? -62.7 -46.71 86.87 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.228 -0.442 . . . . 10.66 110.644 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.421 ' N ' ' HG3' ' A' ' 67' ' ' LYS . 1.6 mppt? -60.1 -42.51 94.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 12.19 110.446 179.575 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 24.2 ttp -59.45 -37.89 79.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.033 -0.53 . . . . 8.0600000000000005 110.449 179.576 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 66' ' ' VAL . 77.2 t -73.78 -42.51 54.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.01 -0.541 . . . . 9.4100000000000001 110.76 179.673 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.434 ' O ' ' CB ' ' A' ' 75' ' ' LYS . 39.1 t80 -52.03 -59.76 3.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.424 -0.353 . . . . 14.24 110.44 179.771 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -53.53 -44.15 68.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.919 0.39 . . . . 12.800000000000001 110.377 179.698 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 20.0 m -63.6 -70.24 0.23 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.096 -0.502 . . . . 11.470000000000001 110.167 179.499 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.463 ' CD1' ' HB3' ' B' ' 62' ' ' GLN . 14.5 mt -50.25 -36.3 30.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.064 -0.516 . . . . 13.529999999999999 110.861 179.728 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.434 ' CB ' ' O ' ' A' ' 71' ' ' PHE . 17.4 ttpp -54.95 -69.32 0.13 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.107 0.48 . . . . 14.16 110.118 179.572 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.32 -31.03 71.6 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.684 -0.689 . . . . 17.68 110.716 179.656 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.598 ' C ' HD12 ' A' ' 77' ' ' LEU . 0.8 OUTLIER -64.06 -63.39 1.16 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.407 -0.361 . . . . 21.43 110.541 179.881 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.618 ' OH ' HG13 ' D' ' 70' ' ' VAL . 22.1 m-30 -55.34 -32.13 62.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.288 -0.415 . . . . 25.600000000000001 110.578 179.651 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.3 tptm -65.26 -28.95 69.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.097 -0.501 . . . . 27.280000000000001 110.527 179.76 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.61 -37.84 85.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.03 -0.532 . . . . 28.059999999999999 110.721 179.831 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 21.9 p . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 115.912 -0.585 . . . . 33.219999999999999 110.908 179.881 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 12.6 t0 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.752 0.31 . . . . 33.5 110.945 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.74 -49.44 76.57 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.266 -0.424 . . . . 30.079999999999998 111.131 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -58.56 -46.47 86.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 33.240000000000002 110.849 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 74.2 mtt180 -60.96 -33.5 73.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 28.670000000000002 110.656 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 58' ' ' LEU . . . . . 0.651 HD13 HG23 ' D' ' 73' ' ' THR . 61.7 mt -70.18 -54.51 12.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.088 -0.505 . . . . 22.489999999999998 110.87 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.25 -30.53 17.95 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.914 -0.584 . . . . 19.890000000000001 111.153 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -71.3 -62.74 1.29 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 18.129999999999999 110.962 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -56.62 -36.07 69.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.299 -0.41 . . . . 11.6 110.684 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 62' ' ' GLN . . . . . 0.511 ' O ' HG23 ' B' ' 66' ' ' VAL . 0.0 OUTLIER -70.39 -42.3 71.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 10.82 110.824 179.693 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 8.5 p -65.63 -56.41 12.35 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.277 -0.42 . . . . 16.59 110.833 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 19.1 pt-20 -49.34 -37.13 23.45 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.28 -0.418 . . . . 17.27 110.675 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.72 -41.3 97.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.491 . . . . 10.550000000000001 110.717 179.753 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 66' ' ' VAL . . . . . 0.511 HG23 ' O ' ' B' ' 62' ' ' GLN . 25.7 t -62.67 -36.48 75.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 8.1799999999999997 110.796 179.707 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 1.2 tttt -61.59 -53.35 57.47 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.058 -0.519 . . . . 14.15 110.633 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 21.8 ttmt -54.86 -36.84 65.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 9.5399999999999991 110.626 179.663 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 69' ' ' MET . . . . . . . . . . . . . 33.3 ttp -66.05 -52.8 45.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.014 -0.539 . . . . 11.109999999999999 110.563 179.791 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.626 HG13 ' OH ' ' C' ' 78' ' ' TYR . 81.1 t -69.45 -26.93 32.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.082 -0.508 . . . . 10.9 110.765 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 33.0 t80 -57.33 -43.49 83.43 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.149 -0.478 . . . . 18.120000000000001 110.547 179.759 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -67.55 -50.15 59.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 24.27 110.603 179.656 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 73' ' ' THR . . . . . 0.657 HG23 HD22 ' D' ' 58' ' ' LEU . 52.4 m -50.26 -59.02 4.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 23.719999999999999 110.784 179.749 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 74' ' ' LEU . . . . . 0.583 ' HA ' HD12 ' B' ' 77' ' ' LEU . 23.5 mt -50.36 -39.32 46.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 27.140000000000001 110.966 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 4.1 tttt -49.2 -46.83 46.25 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.274 -0.421 . . . . 28.52 110.892 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -75.71 -26.36 57.45 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.948 -0.569 . . . . 28.25 110.78 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.583 HD12 ' HA ' ' B' ' 74' ' ' LEU . 43.3 mt -69.01 -49.56 56.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.082 -0.508 . . . . 28.18 110.968 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -73.7 -27.63 61.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 33.600000000000001 111.01 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.228 -0.442 . . . . 42.079999999999998 110.877 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.143 0 CA-C-O 120.804 0.335 . . . . 30.129999999999999 110.809 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -73.26 -52.44 14.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 26.719999999999999 110.391 179.586 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 57' ' ' ARG . . . . . 0.41 ' NH1' ' HB3' ' C' ' 57' ' ' ARG . 8.4 mtm105 -63.23 -39.31 94.26 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.938 -0.574 . . . . 27.379999999999999 110.361 179.46 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 58' ' ' LEU . . . . . 0.408 ' HA ' HD23 ' C' ' 58' ' ' LEU . 11.9 mt -59.94 -51.45 69.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.871 -0.604 . . . . 28.879999999999999 110.631 179.594 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -50.14 -35.94 27.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 24.460000000000001 110.9 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -67.87 -30.01 69.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.088 -0.506 . . . . 25.620000000000001 110.611 179.707 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -74.81 -50.48 17.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.002 -0.545 . . . . 27.210000000000001 110.817 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 64.4 mm-40 -54.11 -53.89 47.11 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.005 -0.543 . . . . 19.190000000000001 110.716 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 63' ' ' SER . . . . . . . . . . . . . 1.2 m -58.53 -38.81 78.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 15.92 110.732 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.74 -26.79 58.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.122 -0.49 . . . . 17.02 110.542 179.8 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 65' ' ' LEU . . . . . . . . . . . . . 4.9 mt -79.8 -32.65 40.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.072 -0.513 . . . . 17.170000000000002 110.366 179.682 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 66' ' ' VAL . . . . . . . . . . . . . 21.4 t -78.42 -38.26 22.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.943 -0.572 . . . . 9.8000000000000007 110.982 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 67' ' ' LYS . . . . . 0.418 ' HG3' ' N ' ' C' ' 68' ' ' LYS . 2.2 ptmm? -62.43 -46.82 86.81 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.238 -0.437 . . . . 18.079999999999998 110.72 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 68' ' ' LYS . . . . . 0.418 ' N ' ' HG3' ' C' ' 67' ' ' LYS . 1.6 mppt? -60.09 -42.46 94.69 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.181 -0.463 . . . . 21.460000000000001 110.402 179.607 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 69' ' ' MET . . . . . . . . . . . . . 24.0 ttp -59.46 -37.79 79.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.958 -0.565 . . . . 8.6500000000000004 110.442 179.596 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 74.0 t -73.97 -42.39 52.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.031 -0.531 . . . . 5.8200000000000003 110.815 179.666 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 71' ' ' PHE . . . . . 0.432 ' CZ ' ' HD3' ' C' ' 75' ' ' LYS . 39.0 t80 -52.13 -59.79 3.96 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.402 -0.363 . . . . 16.710000000000001 110.444 179.742 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -53.48 -44.18 68.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.926 0.393 . . . . 9.6999999999999993 110.367 179.721 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 73' ' ' THR . . . . . . . . . . . . . 19.9 m -63.63 -70.22 0.23 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.049 -0.523 . . . . 12.050000000000001 110.183 179.443 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 74' ' ' LEU . . . . . 0.461 ' CD1' ' HB3' ' D' ' 62' ' ' GLN . 14.8 mt -50.21 -36.34 30.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.08 -0.509 . . . . 18.640000000000001 110.95 179.725 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 75' ' ' LYS . . . . . 0.432 ' HD3' ' CZ ' ' C' ' 71' ' ' PHE . 17.4 ttpp -54.82 -69.57 0.13 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.069 -0.514 . . . . 19.68 110.136 179.462 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 76' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.17 -30.91 71.39 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.632 -0.713 . . . . 15.800000000000001 110.794 179.654 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 77' ' ' LEU . . . . . 0.6 ' C ' HD12 ' C' ' 77' ' ' LEU . 0.8 OUTLIER -64.23 -63.22 1.2 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.336 -0.393 . . . . 19.350000000000001 110.593 179.858 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' C' C ' 78' ' ' TYR . . . . . 0.626 ' OH ' HG13 ' B' ' 70' ' ' VAL . 22.0 m-30 -55.54 -32.08 62.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.31 -0.404 . . . . 25.940000000000001 110.555 179.646 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 1.3 tptm -65.23 -28.86 69.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.088 -0.506 . . . . 27.129999999999999 110.576 179.681 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.59 -38.1 86.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.03 -0.532 . . . . 30.329999999999998 110.598 179.76 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 81' ' ' THR . . . . . . . . . . . . . 21.8 p . . . . . 0 C--N 1.327 -0.376 0 CA-C-N 115.983 -0.553 . . . . 34.299999999999997 110.899 179.991 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 12.7 t0 . . . . . 0 CA--C 1.528 0.101 0 CA-C-O 120.721 0.295 . . . . 33.979999999999997 110.94 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' D' D ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.9 -49.36 77.0 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.322 -0.399 . . . . 32.799999999999997 111.166 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -58.55 -46.32 87.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 31.440000000000001 110.832 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 57' ' ' ARG . . . . . . . . . . . . . 73.8 mtt180 -61.23 -33.35 73.36 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.292 -0.413 . . . . 26.07 110.655 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 58' ' ' LEU . . . . . 0.657 HD22 HG23 ' B' ' 73' ' ' THR . 62.3 mt -70.33 -54.21 13.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.148 -0.478 . . . . 18.690000000000001 110.939 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.51 -30.51 20.56 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.939 -0.573 . . . . 18.940000000000001 111.133 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 60' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -71.28 -62.9 1.23 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.195 -0.457 . . . . 23.969999999999999 110.898 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 61' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -56.55 -35.99 68.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.306 -0.406 . . . . 17.289999999999999 110.663 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 62' ' ' GLN . . . . . 0.509 ' O ' HG23 ' D' ' 66' ' ' VAL . 0.0 OUTLIER -70.57 -42.16 71.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.144 -0.48 . . . . 15.539999999999999 110.851 179.802 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' D' D ' 63' ' ' SER . . . . . . . . . . . . . 8.7 p -65.77 -56.05 14.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.25 -0.432 . . . . 12.93 110.794 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 64' ' ' GLU . . . . . . . . . . . . . 19.1 pt-20 -49.52 -37.02 25.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.292 -0.413 . . . . 9.8399999999999999 110.779 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 65' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.69 -41.62 97.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.038 -0.528 . . . . 5.7400000000000002 110.63 179.716 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 66' ' ' VAL . . . . . 0.509 HG23 ' O ' ' D' ' 62' ' ' GLN . 25.3 t -62.46 -36.48 75.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 6.5 110.838 179.764 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 67' ' ' LYS . . . . . . . . . . . . . 1.2 tttt -61.63 -53.13 60.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.048 -0.524 . . . . 16.0 110.684 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 68' ' ' LYS . . . . . . . . . . . . . 21.8 ttmt -55.07 -36.82 66.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 17.989999999999998 110.574 179.741 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 69' ' ' MET . . . . . . . . . . . . . 33.5 ttp -66.14 -52.61 46.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.041 -0.527 . . . . 13.09 110.67 179.733 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 70' ' ' VAL . . . . . 0.618 HG13 ' OH ' ' A' ' 78' ' ' TYR . 86.3 t -69.74 -26.65 31.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.081 -0.509 . . . . 15.42 110.801 179.794 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 32.7 t80 -57.53 -43.55 84.43 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.107 -0.497 . . . . 25.079999999999998 110.553 179.731 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -67.53 -49.94 61.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 28.469999999999999 110.534 179.671 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 73' ' ' THR . . . . . 0.651 HG23 HD13 ' B' ' 58' ' ' LEU . 55.3 m -50.51 -58.72 5.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.115 -0.493 . . . . 21.82 110.789 179.785 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 74' ' ' LEU . . . . . 0.586 ' HA ' HD12 ' D' ' 77' ' ' LEU . 24.9 mt -50.73 -39.08 50.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.473 . . . . 21.0 110.915 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 75' ' ' LYS . . . . . . . . . . . . . 4.0 tttt -49.39 -46.91 47.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 27.09 110.836 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 76' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -75.58 -26.48 57.95 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.012 -0.54 . . . . 31.129999999999999 110.769 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 77' ' ' LEU . . . . . 0.586 HD12 ' HA ' ' D' ' 74' ' ' LEU . 42.7 mt -68.89 -49.57 57.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.066 -0.515 . . . . 30.390000000000001 110.99 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 78' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -73.63 -27.7 61.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.262 -0.426 . . . . 31.859999999999999 111.096 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.44 . . . . 39.460000000000001 110.974 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.129 0 CA-C-O 120.854 0.359 . . . . 33.689999999999998 110.791 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -63.96 -56.95 11.44 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.147 -0.479 . . . . 29.120000000000001 110.585 179.686 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 15.0 ptt180 -62.89 -43.37 98.98 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.015 -0.539 . . . . 38.060000000000002 110.074 179.366 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.619 ' C ' HD13 ' A' ' 58' ' ' LEU . 2.1 tm? -60.49 -53.17 60.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.661 -0.7 . . . . 25.140000000000001 110.474 179.562 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.436 ' N ' HD13 ' A' ' 58' ' ' LEU . . . -57.8 -44.45 86.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.006 -0.543 . . . . 20.440000000000001 110.832 179.811 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.5 -34.37 61.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 20.030000000000001 110.582 179.799 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -70.59 -40.46 73.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.49 . . . . 22.23 110.632 179.78 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.443 ' HB2' ' CD1' ' B' ' 74' ' ' LEU . 0.8 OUTLIER -64.42 -42.88 95.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.037 -0.528 . . . . 24.870000000000001 110.537 179.693 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 13.5 m -59.1 -35.66 73.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.053 -0.521 . . . . 16.670000000000002 110.564 179.763 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.43 ' O ' ' HG2' ' A' ' 67' ' ' LYS . 6.2 mt-10 -61.67 -49.24 77.29 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.107 -0.497 . . . . 25.030000000000001 110.493 179.636 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 5.9 mt -54.46 -32.57 57.97 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.15 -0.477 . . . . 17.309999999999999 110.181 179.506 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 62' ' ' GLN . 38.9 t -76.16 -50.58 22.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.893 -0.594 . . . . 14.869999999999999 111.047 179.786 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.43 ' HG2' ' O ' ' A' ' 64' ' ' GLU . 1.1 pttm -57.96 -43.55 86.52 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.325 -0.398 . . . . 13.59 110.517 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 5.4 ttpt -58.93 -39.07 80.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 12.91 110.475 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 38.2 ttp -63.54 -47.38 81.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.009 -0.541 . . . . 7.5599999999999996 110.482 179.511 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.454 HG13 ' HG ' ' A' ' 74' ' ' LEU . 64.8 t -65.02 -34.0 67.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.981 -0.554 . . . . 9.1500000000000004 110.57 179.734 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.507 ' CZ ' ' HD3' ' A' ' 75' ' ' LYS . 28.5 t80 -59.28 -60.8 3.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.334 -0.394 . . . . 11.77 110.455 179.631 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -52.79 -40.95 63.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 11.0 110.36 179.611 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 21.4 m -66.9 -70.68 0.23 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.046 -0.524 . . . . 12.119999999999999 110.37 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.662 HD12 ' HB2' ' B' ' 62' ' ' GLN . 13.3 mt -50.78 -37.62 43.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.095 -0.502 . . . . 13.890000000000001 110.994 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.507 ' HD3' ' CZ ' ' A' ' 71' ' ' PHE . 9.6 tttt -53.99 -69.32 0.13 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.031 0.443 . . . . 12.949999999999999 110.174 179.491 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.57 -29.69 70.19 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.687 -0.688 . . . . 16.390000000000001 110.807 179.597 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.615 ' C ' HD12 ' A' ' 77' ' ' LEU . 0.6 OUTLIER -66.8 -67.48 0.45 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.196 -0.456 . . . . 20.84 110.645 -179.913 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.718 ' CE2' HG21 ' D' ' 73' ' ' THR . 20.5 m-30 -50.7 -25.8 4.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.414 -0.357 . . . . 24.329999999999998 110.855 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.88 -38.02 87.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 26.629999999999999 110.858 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 15.4 tttt -67.32 -33.07 74.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 27.23 110.873 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 33.490000000000002 111.136 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.907 0.384 . . . . 35.049999999999997 110.723 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -54.38 -45.24 72.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.094 -0.503 . . . . 31.510000000000002 110.957 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -62.01 -56.48 18.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 32.799999999999997 110.612 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 8.3 mtm180 -53.01 -30.99 38.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 28.84 110.498 179.68 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 58' ' ' LEU . . . . . 0.634 HD22 HG23 ' D' ' 73' ' ' THR . 15.8 mt -68.95 -58.88 3.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.907 -0.588 . . . . 23.09 110.781 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -48.09 -34.3 9.5 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.862 -0.608 . . . . 19.66 111.036 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -63.31 -45.63 90.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.081 -0.509 . . . . 17.5 110.635 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 61' ' ' GLU . . . . . 0.568 ' O ' HD12 ' B' ' 65' ' ' LEU . 3.1 mt-10 -63.51 -33.81 76.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.229 -0.441 . . . . 11.69 110.797 179.73 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 62' ' ' GLN . . . . . 0.662 ' HB2' HD12 ' A' ' 74' ' ' LEU . 3.5 mm-40 -74.2 -47.07 37.91 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.163 -0.471 . . . . 11.470000000000001 110.574 179.754 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -53.6 -59.11 5.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 16.920000000000002 110.657 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -51.91 -36.84 50.28 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 116.213 -0.448 . . . . 19.25 110.401 179.659 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 65' ' ' LEU . . . . . 0.568 HD12 ' O ' ' B' ' 61' ' ' GLU . 0.0 OUTLIER -64.56 -51.06 64.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.963 -0.562 . . . . 10.43 110.39 179.531 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 66' ' ' VAL . . . . . 0.657 HG23 ' O ' ' B' ' 62' ' ' GLN . 21.4 t -58.71 -31.74 44.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.187 -0.46 . . . . 8.4800000000000004 110.731 179.497 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 67' ' ' LYS . . . . . 0.412 ' O ' ' N ' ' B' ' 71' ' ' PHE . 6.2 tttt -60.65 -59.14 5.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.989 -0.551 . . . . 15.44 110.975 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 68' ' ' LYS . . . . . 0.402 ' HG2' ' O ' ' B' ' 65' ' ' LEU . 1.2 ptmt -56.16 -29.87 61.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.811 0.339 . . . . 9.5800000000000001 110.71 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 69' ' ' MET . . . . . 0.648 ' HE2' HG13 ' B' ' 66' ' ' VAL . 57.5 ttp -72.07 -50.92 24.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.132 -0.486 . . . . 10.77 110.651 179.768 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.488 HG13 ' OH ' ' C' ' 78' ' ' TYR . 60.8 t -76.63 -20.52 14.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 10.880000000000001 111.161 179.823 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.412 ' N ' ' O ' ' B' ' 67' ' ' LYS . 13.2 t80 -69.15 -43.03 75.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.234 -0.439 . . . . 18.239999999999998 110.638 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -69.3 -41.09 77.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.496 . . . . 23.789999999999999 110.625 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 73' ' ' THR . . . . . 0.776 HG23 HD22 ' D' ' 58' ' ' LEU . 89.2 m -52.63 -59.28 4.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 23.0 110.614 179.795 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 74' ' ' LEU . . . . . 0.73 HD23 HD12 ' B' ' 77' ' ' LEU . 55.2 mt -52.27 -35.5 50.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 27.449999999999999 110.673 179.759 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -52.34 -43.5 64.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 29.699999999999999 110.475 179.832 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 76' ' ' ASP . . . . . 0.439 ' HA ' ' CG ' ' B' ' 79' ' ' LYS . 30.2 m-20 -76.38 -29.47 57.15 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.938 -0.574 . . . . 29.379999999999999 110.597 179.642 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.73 HD12 HD23 ' B' ' 74' ' ' LEU . 20.8 mt -66.93 -37.2 83.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.993 -0.548 . . . . 28.960000000000001 110.949 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 78' ' ' TYR . . . . . 0.412 ' CE1' HD12 ' A' ' 58' ' ' LEU . 1.6 m-85 -82.44 -59.98 2.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 35.219999999999999 111.068 -179.812 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 79' ' ' LYS . . . . . 0.439 ' CG ' ' HA ' ' B' ' 76' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.283 -0.417 . . . . 41.670000000000002 110.878 -179.86 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.124 0 CA-C-O 120.875 0.369 . . . . 30.68 110.854 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -63.96 -57.12 10.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 27.16 110.526 179.581 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 57' ' ' ARG . . . . . . . . . . . . . 15.0 ptt180 -62.79 -43.54 98.52 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.055 -0.521 . . . . 28.989999999999998 110.041 179.42 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 58' ' ' LEU . . . . . 0.617 ' C ' HD13 ' C' ' 58' ' ' LEU . 2.1 tm? -60.35 -53.05 62.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.653 -0.703 . . . . 29.699999999999999 110.526 179.523 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 59' ' ' ALA . . . . . 0.424 ' N ' HD13 ' C' ' 58' ' ' LEU . . . -57.6 -44.86 85.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.093 -0.503 . . . . 25.289999999999999 110.786 179.693 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.32 -34.4 60.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 24.760000000000002 110.655 179.808 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -70.52 -40.43 73.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 26.82 110.616 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 62' ' ' GLN . . . . . 0.441 ' O ' HG23 ' C' ' 66' ' ' VAL . 0.8 OUTLIER -64.54 -42.54 95.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.082 -0.508 . . . . 18.850000000000001 110.546 179.742 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' C' C ' 63' ' ' SER . . . . . . . . . . . . . 13.7 m -59.53 -35.47 74.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.062 -0.517 . . . . 16.149999999999999 110.542 179.739 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 64' ' ' GLU . . . . . 0.426 ' O ' ' HG2' ' C' ' 67' ' ' LYS . 6.2 mt-10 -61.79 -49.26 77.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.175 -0.466 . . . . 18.030000000000001 110.506 179.567 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 65' ' ' LEU . . . . . . . . . . . . . 6.0 mt -54.46 -32.56 57.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.086 -0.506 . . . . 18.190000000000001 110.186 179.521 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 66' ' ' VAL . . . . . 0.441 HG23 ' O ' ' C' ' 62' ' ' GLN . 38.9 t -76.17 -50.7 21.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.819 -0.628 . . . . 9.9800000000000004 111.069 179.754 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 67' ' ' LYS . . . . . 0.426 ' HG2' ' O ' ' C' ' 64' ' ' GLU . 1.0 OUTLIER -57.82 -43.47 85.75 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.32 -0.4 . . . . 16.629999999999999 110.602 179.922 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' C' C ' 68' ' ' LYS . . . . . . . . . . . . . 5.3 ttpt -58.99 -39.11 80.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.018 -0.537 . . . . 22.57 110.448 179.581 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 69' ' ' MET . . . . . . . . . . . . . 38.1 ttp -63.62 -47.34 81.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.068 -0.514 . . . . 8.8900000000000006 110.446 179.548 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 70' ' ' VAL . . . . . 0.459 HG13 ' HG ' ' C' ' 74' ' ' LEU . 72.1 t -65.13 -34.17 68.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.085 -0.507 . . . . 6.8399999999999999 110.705 179.625 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 71' ' ' PHE . . . . . 0.498 ' CZ ' ' HD3' ' C' ' 75' ' ' LYS . 28.4 t80 -58.85 -60.9 3.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.26 -0.427 . . . . 18.23 110.357 179.63 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -52.8 -40.93 63.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.291 -0.413 . . . . 12.0 110.434 179.635 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 73' ' ' THR . . . . . . . . . . . . . 21.2 m -66.92 -70.54 0.24 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.011 -0.541 . . . . 11.18 110.471 179.647 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 74' ' ' LEU . . . . . 0.731 HD12 ' HB2' ' D' ' 62' ' ' GLN . 13.5 mt -50.96 -37.44 44.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.064 -0.516 . . . . 18.34 111.077 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 75' ' ' LYS . . . . . 0.498 ' HD3' ' CZ ' ' C' ' 71' ' ' PHE . 9.6 tttt -54.2 -68.98 0.14 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 20.120000000000001 110.221 179.46 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 76' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.77 -29.61 70.25 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.708 -0.678 . . . . 16.789999999999999 110.811 179.579 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 77' ' ' LEU . . . . . 0.613 ' C ' HD12 ' C' ' 77' ' ' LEU . 0.6 OUTLIER -66.81 -67.4 0.45 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.229 -0.441 . . . . 19.719999999999999 110.72 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' C' C ' 78' ' ' TYR . . . . . 0.766 ' CE2' HG21 ' B' ' 73' ' ' THR . 20.5 m-30 -50.72 -25.95 4.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.462 -0.335 . . . . 26.609999999999999 110.804 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.71 -38.15 88.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.297 -0.41 . . . . 27.850000000000001 110.896 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 15.2 tttt -67.21 -33.3 75.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.146 -0.479 . . . . 31.620000000000001 110.88 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 81' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 35.189999999999998 111.182 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.88 0.372 . . . . 33.590000000000003 110.837 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' D' D ' 55' ' ' ALA . . . . . . . . . . . . . . . -54.41 -45.14 72.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.495 . . . . 31.960000000000001 111.031 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -62.05 -56.51 18.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 30.960000000000001 110.69 179.778 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 57' ' ' ARG . . . . . . . . . . . . . 8.3 mtm180 -53.07 -30.9 38.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 23.23 110.481 179.708 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 58' ' ' LEU . . . . . 0.776 HD22 HG23 ' B' ' 73' ' ' THR . 15.6 mt -69.13 -58.52 3.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.865 -0.607 . . . . 18.780000000000001 110.887 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 59' ' ' ALA . . . . . . . . . . . . . . . -48.53 -34.05 10.63 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.872 -0.604 . . . . 18.710000000000001 111.084 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 60' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -63.45 -45.83 89.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.11 -0.495 . . . . 23.710000000000001 110.68 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 61' ' ' GLU . . . . . 0.581 ' O ' HD12 ' D' ' 65' ' ' LEU . 3.1 mt-10 -63.2 -33.85 76.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 16.829999999999998 110.857 179.811 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 62' ' ' GLN . . . . . 0.731 ' HB2' HD12 ' C' ' 74' ' ' LEU . 3.4 mm-40 -74.55 -46.87 36.15 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.187 -0.46 . . . . 14.779999999999999 110.681 179.791 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 63' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -53.55 -58.53 6.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 12.98 110.514 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 64' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -52.26 -36.88 53.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 7.8499999999999996 110.417 179.601 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 65' ' ' LEU . . . . . 0.581 HD12 ' O ' ' D' ' 61' ' ' GLU . 0.0 OUTLIER -64.46 -51.03 65.12 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.014 -0.539 . . . . 5.7999999999999998 110.376 179.488 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' D' D ' 66' ' ' VAL . . . . . 0.656 HG13 ' HE2' ' D' ' 69' ' ' MET . 21.5 t -58.72 -31.89 45.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.489 . . . . 5.9100000000000001 110.576 179.641 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 67' ' ' LYS . . . . . 0.401 ' O ' ' N ' ' D' ' 71' ' ' PHE . 6.2 tttt -60.78 -58.97 6.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.927 -0.578 . . . . 14.76 110.933 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 68' ' ' LYS . . . . . 0.41 ' HG2' ' O ' ' D' ' 65' ' ' LEU . 1.2 ptmt -56.22 -29.87 61.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.874 0.368 . . . . 14.01 110.786 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 69' ' ' MET . . . . . 0.656 ' HE2' HG13 ' D' ' 66' ' ' VAL . 57.7 ttp -72.1 -50.87 24.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 12.710000000000001 110.653 179.811 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 70' ' ' VAL . . . . . 0.506 HG13 ' OH ' ' A' ' 78' ' ' TYR . 58.8 t -77.13 -19.89 14.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 14.98 111.187 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 71' ' ' PHE . . . . . 0.401 ' N ' ' O ' ' D' ' 67' ' ' LYS . 13.1 t80 -69.57 -43.06 73.66 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.329 -0.396 . . . . 24.460000000000001 110.583 179.689 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -69.14 -41.19 77.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.078 -0.51 . . . . 28.289999999999999 110.583 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 73' ' ' THR . . . . . 0.718 HG21 ' CE2' ' A' ' 78' ' ' TYR . 87.9 m -52.45 -59.6 4.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 22.5 110.62 179.793 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 74' ' ' LEU . . . . . 0.704 HD23 HD12 ' D' ' 77' ' ' LEU . 56.4 mt -52.02 -35.68 47.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 21.059999999999999 110.708 179.725 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 75' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -52.08 -43.62 63.94 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.214 -0.448 . . . . 26.25 110.492 179.764 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 76' ' ' ASP . . . . . 0.44 ' HA ' ' CG ' ' D' ' 79' ' ' LYS . 30.2 m-20 -76.36 -29.62 57.26 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.012 -0.54 . . . . 30.620000000000001 110.51 179.728 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 77' ' ' LEU . . . . . 0.704 HD12 HD23 ' D' ' 74' ' ' LEU . 21.0 mt -66.81 -37.22 84.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.07 -0.514 . . . . 30.32 110.941 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 78' ' ' TYR . . . . . 0.447 ' CE1' HD12 ' C' ' 58' ' ' LEU . 1.6 m-85 -82.21 -60.15 2.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 31.98 111.055 -179.784 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 79' ' ' LYS . . . . . 0.44 ' CG ' ' HA ' ' D' ' 76' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 40.740000000000002 111.014 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.812 0.339 . . . . 30.620000000000001 110.891 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -61.06 -57.11 13.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.222 -0.445 . . . . 27.379999999999999 110.6 179.737 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 1.2 mtm180 -65.74 -47.66 74.51 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.006 -0.543 . . . . 26.609999999999999 110.341 179.542 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.632 ' C ' HD13 ' A' ' 58' ' ' LEU . 2.4 tm? -54.3 -41.56 69.09 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.67 -0.695 . . . . 27.670000000000002 110.726 179.613 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.13 -40.68 86.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.059 -0.519 . . . . 24.989999999999998 111.056 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 58.4 t0 -58.48 -34.82 71.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 26.739999999999998 110.823 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -61.41 -56.34 21.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 26.780000000000001 110.83 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.416 ' HB2' ' CD1' ' B' ' 74' ' ' LEU . 6.3 mp0 -51.66 -39.01 57.39 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.006 -0.543 . . . . 19.870000000000001 110.698 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.59 -44.17 91.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.12 -0.491 . . . . 16.030000000000001 110.652 179.746 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.412 ' O ' ' HG2' ' A' ' 67' ' ' LYS . 0.1 OUTLIER -60.99 -20.43 62.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.467 . . . . 17.920000000000002 110.872 179.773 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.4 mt -78.92 -36.92 41.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.968 0.413 . . . . 15.66 110.204 179.458 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.418 ' O ' HG23 ' A' ' 70' ' ' VAL . 46.6 t -73.94 -40.02 52.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.898 -0.592 . . . . 10.09 110.75 179.463 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.437 ' CG ' ' N ' ' A' ' 68' ' ' LYS . 18.8 ptmt -64.94 -49.74 69.18 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.091 -0.504 . . . . 18.48 110.594 179.785 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.437 ' N ' ' CG ' ' A' ' 67' ' ' LYS . 0.0 OUTLIER -62.89 -34.61 77.76 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.134 -0.485 . . . . 21.809999999999999 110.25 179.583 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 7.3 tmm? -69.61 -45.67 68.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.805 -0.634 . . . . 8.5899999999999999 110.257 179.45 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 66' ' ' VAL . 45.2 t -66.09 -35.07 74.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.031 -0.532 . . . . 4.96 110.5 179.618 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.479 ' CZ ' ' HE2' ' A' ' 75' ' ' LYS . 65.0 t80 -52.76 -60.36 3.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.288 -0.415 . . . . 14.92 110.404 179.662 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.59 -49.89 61.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 7.9699999999999998 110.783 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.412 HG21 ' CE ' ' C' ' 69' ' ' MET . 19.8 m -57.62 -71.45 0.1 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.318 -0.401 . . . . 12.94 110.198 179.647 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.654 HD12 ' HB2' ' B' ' 62' ' ' GLN . 14.3 mt -49.7 -35.6 22.39 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.132 -0.485 . . . . 18.809999999999999 110.872 179.804 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.479 ' HE2' ' CZ ' ' A' ' 71' ' ' PHE . 6.6 ttmm -55.23 -67.72 0.25 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.021 -0.536 . . . . 22.039999999999999 110.204 179.544 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.63 -31.5 72.69 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.601 -0.727 . . . . 15.24 110.908 179.676 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.575 ' O ' HD12 ' A' ' 77' ' ' LEU . 1.1 tp -64.68 -60.32 3.24 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.396 -0.365 . . . . 19.34 110.75 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.553 ' CZ ' HG21 ' D' ' 73' ' ' THR . 22.0 m-30 -57.3 -23.8 50.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.357 -0.383 . . . . 25.690000000000001 110.762 179.625 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 24.7 mttt -69.48 -30.11 67.92 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.245 -0.434 . . . . 27.109999999999999 110.791 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -60.53 -26.54 66.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.245 -0.434 . . . . 30.079999999999998 110.864 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.526 HG22 ' CZ ' ' D' ' 78' ' ' TYR . 23.1 p . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 34.619999999999997 110.872 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 54' ' ' ASP . . . . . 0.402 ' HA ' ' HG2' ' B' ' 57' ' ' ARG . 31.1 m-20 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.732 0.301 . . . . 34.509999999999998 111.06 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 55' ' ' ALA . . . . . 0.449 ' HB1' ' HB2' ' A' ' 78' ' ' TYR . . . -52.54 -36.65 56.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.283 -0.417 . . . . 33.119999999999997 111.191 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.59 -59.72 3.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.293 -0.412 . . . . 31.329999999999998 110.862 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 57' ' ' ARG . . . . . 0.439 ' HG3' ' N ' ' B' ' 58' ' ' LEU . 0.0 OUTLIER -50.8 -30.78 15.1 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.302 -0.408 . . . . 23.699999999999999 110.713 179.925 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 58' ' ' LEU . . . . . 0.846 HD22 HG23 ' D' ' 73' ' ' THR . 4.2 mt -72.13 -62.71 1.33 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.108 -0.496 . . . . 18.690000000000001 110.816 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -44.89 -29.97 0.91 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.983 -0.553 . . . . 18.5 111.051 179.731 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -70.97 -41.91 70.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.985 -0.552 . . . . 22.379999999999999 110.224 179.364 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 61' ' ' GLU . . . . . 0.727 ' O ' HD12 ' B' ' 65' ' ' LEU . 0.6 OUTLIER -66.98 -31.36 71.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.971 -0.559 . . . . 16.489999999999998 110.404 179.523 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 62' ' ' GLN . . . . . 0.654 ' HB2' HD12 ' A' ' 74' ' ' LEU . 12.4 mm-40 -72.85 -47.52 45.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.958 -0.565 . . . . 15.19 110.575 179.796 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.12 -60.5 3.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.481 . . . . 13.01 110.589 179.754 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -53.15 -31.82 44.48 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 116.253 -0.43 . . . . 10.77 110.346 179.599 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 65' ' ' LEU . . . . . 0.727 HD12 ' O ' ' B' ' 61' ' ' GLU . 0.1 OUTLIER -71.18 -50.57 31.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.985 -0.552 . . . . 5.2000000000000002 110.295 179.522 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 66' ' ' VAL . . . . . 0.468 HG23 ' O ' ' B' ' 62' ' ' GLN . 59.3 t -63.63 -32.28 56.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.185 -0.461 . . . . 6.9800000000000004 110.846 179.612 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 67' ' ' LYS . . . . . 0.408 ' HB2' ' HB3' ' A' ' 67' ' ' LYS . 22.6 tttt -64.07 -53.64 46.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.1 -0.5 . . . . 18.16 110.954 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 15.8 mttt -57.35 -33.01 67.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.458 . . . . 18.649999999999999 110.742 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 69' ' ' MET . . . . . . . . . . . . . 28.7 ttp -69.96 -49.64 49.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 12.699999999999999 110.797 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.417 HG13 ' CE1' ' C' ' 78' ' ' TYR . 95.7 t -74.95 -22.73 17.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 15.140000000000001 111.062 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -63.41 -45.2 92.11 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.414 -0.357 . . . . 24.68 110.591 179.669 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.76 -45.04 76.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.064 -0.517 . . . . 27.809999999999999 110.773 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 73' ' ' THR . . . . . 0.833 HG23 HD22 ' D' ' 58' ' ' LEU . 54.4 m -49.97 -54.65 18.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.231 -0.441 . . . . 20.68 110.852 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 74' ' ' LEU . . . . . 0.88 HD23 HD12 ' B' ' 77' ' ' LEU . 41.3 mt -54.19 -40.3 67.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 21.120000000000001 110.841 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.34 -47.3 62.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.448 . . . . 27.77 110.655 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -72.23 -31.07 65.5 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.989 -0.551 . . . . 31.16 110.555 179.707 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.88 HD12 HD23 ' B' ' 74' ' ' LEU . 25.3 mt -62.64 -48.97 77.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.944 -0.571 . . . . 30.460000000000001 110.746 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 78' ' ' TYR . . . . . 0.453 ' CZ ' HG22 ' C' ' 81' ' ' THR . 54.9 m-85 -79.83 -28.31 40.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.064 -0.517 . . . . 32.770000000000003 110.874 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.059 -0.519 . . . . 38.310000000000002 111.16 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.772 0.32 . . . . 35.049999999999997 110.853 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -61.0 -57.26 13.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 30.09 110.579 179.726 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 57' ' ' ARG . . . . . . . . . . . . . 1.2 mtm180 -65.7 -47.54 75.07 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.001 -0.545 . . . . 38.130000000000003 110.295 179.605 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 58' ' ' LEU . . . . . 0.623 ' C ' HD13 ' C' ' 58' ' ' LEU . 2.4 tm? -54.36 -41.83 69.58 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.677 -0.692 . . . . 27.879999999999999 110.69 179.609 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.88 -40.78 85.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.058 -0.519 . . . . 21.050000000000001 111.06 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 58.2 t0 -58.51 -34.57 71.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.236 -0.438 . . . . 18.129999999999999 110.828 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -61.63 -56.32 21.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 20.140000000000001 110.812 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 62' ' ' GLN . . . . . 0.414 ' N ' ' OE1' ' C' ' 62' ' ' GLN . 6.3 mp0 -51.57 -39.02 57.07 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.025 -0.534 . . . . 23.800000000000001 110.697 179.814 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 63' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.74 -44.05 91.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.112 -0.494 . . . . 18.02 110.689 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 64' ' ' GLU . . . . . 0.417 ' O ' ' HG2' ' C' ' 67' ' ' LYS . 0.1 OUTLIER -60.96 -20.5 62.38 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.138 -0.483 . . . . 25.02 110.899 179.762 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' C' C ' 65' ' ' LEU . . . . . . . . . . . . . 3.3 mt -78.9 -36.61 41.75 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.962 0.411 . . . . 18.510000000000002 110.244 179.534 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 66' ' ' VAL . . . . . 0.427 ' O ' HG23 ' C' ' 70' ' ' VAL . 46.3 t -74.31 -39.94 49.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.95 -0.568 . . . . 14.56 110.729 179.492 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 67' ' ' LYS . . . . . 0.441 ' CG ' ' N ' ' C' ' 68' ' ' LYS . 18.8 ptmt -64.91 -49.56 69.96 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.071 -0.513 . . . . 9.0800000000000001 110.571 179.759 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 68' ' ' LYS . . . . . 0.441 ' N ' ' CG ' ' C' ' 67' ' ' LYS . 0.0 OUTLIER -63.1 -34.71 78.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.112 -0.494 . . . . 13.43 110.155 179.604 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' C' C ' 69' ' ' MET . . . . . 0.412 ' CE ' HG21 ' A' ' 73' ' ' THR . 7.3 tmm? -69.51 -45.96 67.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.86 -0.609 . . . . 8.9700000000000006 110.242 179.462 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 70' ' ' VAL . . . . . 0.427 HG23 ' O ' ' C' ' 66' ' ' VAL . 46.2 t -65.81 -35.22 74.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.967 -0.56 . . . . 9.3399999999999999 110.49 179.595 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 71' ' ' PHE . . . . . 0.47 ' CZ ' ' HE2' ' C' ' 75' ' ' LYS . 64.9 t80 -52.64 -60.45 3.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.275 -0.42 . . . . 15.68 110.415 179.68 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.52 -49.82 61.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.282 -0.417 . . . . 14.1 110.697 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 73' ' ' THR . . . . . . . . . . . . . 19.7 m -57.74 -71.55 0.1 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.383 -0.372 . . . . 10.27 110.191 179.715 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 74' ' ' LEU . . . . . 0.709 HD12 ' HB2' ' D' ' 62' ' ' GLN . 14.5 mt -49.65 -35.31 20.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.131 -0.486 . . . . 12.880000000000001 110.899 179.801 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 75' ' ' LYS . . . . . 0.47 ' HE2' ' CZ ' ' C' ' 71' ' ' PHE . 6.6 ttmm -55.53 -67.87 0.25 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.074 -0.512 . . . . 14.789999999999999 110.167 179.436 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 76' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.41 -31.6 72.8 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.625 -0.716 . . . . 17.98 110.926 179.687 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 77' ' ' LEU . . . . . 0.571 ' O ' HD12 ' C' ' 77' ' ' LEU . 1.1 tp -64.59 -60.24 3.35 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.307 -0.406 . . . . 21.170000000000002 110.751 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 78' ' ' TYR . . . . . 0.637 ' CZ ' HG21 ' B' ' 73' ' ' THR . 22.0 m-30 -57.5 -23.59 51.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.336 -0.393 . . . . 26.129999999999999 110.74 179.691 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 24.7 mttt -69.59 -30.08 67.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.304 -0.407 . . . . 23.960000000000001 110.796 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -60.63 -26.4 67.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.213 -0.449 . . . . 29.34 110.911 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 81' ' ' THR . . . . . 0.537 ' OG1' HD22 ' B' ' 77' ' ' LEU . 23.4 p . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 33.219999999999999 110.872 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.751 0.31 . . . . 33.479999999999997 110.992 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' D' D ' 55' ' ' ALA . . . . . 0.519 ' HB1' ' HB2' ' C' ' 78' ' ' TYR . . . -52.56 -36.59 56.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.304 -0.407 . . . . 29.77 111.192 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.58 -59.86 3.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 33.719999999999999 110.871 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 57' ' ' ARG . . . . . 0.438 ' HG3' ' N ' ' D' ' 58' ' ' LEU . 0.0 OUTLIER -50.81 -30.77 15.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.266 -0.424 . . . . 25.699999999999999 110.754 179.913 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' D' D ' 58' ' ' LEU . . . . . 0.833 HD22 HG23 ' B' ' 73' ' ' THR . 4.2 mt -72.28 -61.9 1.63 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.063 -0.517 . . . . 22.489999999999998 110.808 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 59' ' ' ALA . . . . . . . . . . . . . . . -45.61 -29.95 1.37 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.993 -0.549 . . . . 20.239999999999998 111.058 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 60' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -71.05 -41.66 70.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.972 -0.558 . . . . 18.719999999999999 110.239 179.425 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 61' ' ' GLU . . . . . 0.725 ' O ' HD12 ' D' ' 65' ' ' LEU . 0.6 OUTLIER -67.07 -31.25 71.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.011 -0.541 . . . . 12.140000000000001 110.484 179.548 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' D' D ' 62' ' ' GLN . . . . . 0.709 ' HB2' HD12 ' C' ' 74' ' ' LEU . 12.4 mm-40 -72.92 -47.74 43.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.927 -0.578 . . . . 10.859999999999999 110.624 179.699 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 63' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.84 -60.45 3.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 16.52 110.573 179.735 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 64' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -53.18 -31.85 44.86 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 116.279 -0.419 . . . . 17.91 110.376 179.626 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 65' ' ' LEU . . . . . 0.725 HD12 ' O ' ' D' ' 61' ' ' GLU . 0.1 OUTLIER -71.17 -50.29 34.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.961 -0.563 . . . . 10.48 110.414 179.472 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' D' D ' 66' ' ' VAL . . . . . 0.466 HG23 ' O ' ' D' ' 62' ' ' GLN . 58.9 t -63.89 -32.3 56.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.117 -0.492 . . . . 7.9500000000000002 110.793 179.622 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 67' ' ' LYS . . . . . 0.415 ' HB2' ' HB3' ' C' ' 67' ' ' LYS . 22.7 tttt -64.01 -53.79 44.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.013 -0.539 . . . . 11.76 110.898 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 68' ' ' LYS . . . . . . . . . . . . . 15.9 mttt -57.33 -32.89 67.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 10.289999999999999 110.764 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 69' ' ' MET . . . . . . . . . . . . . 28.4 ttp -70.05 -49.66 49.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 10.960000000000001 110.759 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 70' ' ' VAL . . . . . 0.478 HG13 ' CE1' ' A' ' 78' ' ' TYR . 96.8 t -74.79 -22.94 17.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.057 -0.519 . . . . 10.619999999999999 111.034 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -63.23 -45.25 92.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.342 -0.39 . . . . 17.690000000000001 110.677 179.662 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.74 -45.08 76.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 24.27 110.786 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 73' ' ' THR . . . . . 0.846 HG23 HD22 ' B' ' 58' ' ' LEU . 54.0 m -49.91 -54.7 18.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 24.25 110.885 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 74' ' ' LEU . . . . . 0.874 HD23 HD12 ' D' ' 77' ' ' LEU . 41.5 mt -54.07 -40.43 67.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 27.109999999999999 110.835 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.25 -47.21 62.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 27.920000000000002 110.715 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 76' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -72.32 -31.22 65.49 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.947 -0.57 . . . . 28.07 110.535 179.686 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 77' ' ' LEU . . . . . 0.874 HD12 HD23 ' D' ' 74' ' ' LEU . 25.5 mt -62.36 -49.18 76.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.959 -0.564 . . . . 28.710000000000001 110.775 179.793 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 78' ' ' TYR . . . . . 0.526 ' CZ ' HG22 ' A' ' 81' ' ' THR . 54.9 m-85 -79.8 -28.22 40.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.065 -0.516 . . . . 34.020000000000003 110.855 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.036 -0.529 . . . . 41.810000000000002 111.24 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.144 0 CA-C-O 120.861 0.362 . . . . 34.039999999999999 110.562 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -62.41 -57.73 10.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.1 -0.5 . . . . 29.390000000000001 110.483 179.612 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 15.3 ptp180 -61.44 -44.76 96.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.953 -0.567 . . . . 35.369999999999997 110.175 179.406 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.623 ' C ' HD13 ' A' ' 58' ' ' LEU . 1.6 tm? -58.68 -44.97 90.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.651 -0.704 . . . . 24.77 110.471 179.496 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -55.78 -37.26 68.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.973 -0.558 . . . . 20.780000000000001 110.856 179.754 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -62.13 -38.28 88.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.036 -0.529 . . . . 21.170000000000002 110.643 179.798 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 56.1 tt0 -55.44 -63.93 1.01 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.489 . . . . 23.16 110.735 179.749 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.431 ' N ' ' OE1' ' A' ' 62' ' ' GLN . 0.1 OUTLIER -50.76 -38.69 49.37 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.005 -0.543 . . . . 25.120000000000001 110.808 179.797 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.411 ' HB3' ' HG2' ' B' ' 67' ' ' LYS . 4.9 m -59.5 -30.76 68.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 16.800000000000001 110.628 179.737 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.03 -38.98 66.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.078 -0.51 . . . . 24.629999999999999 110.707 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 23.8 mt -56.76 -41.19 77.16 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.097 -0.501 . . . . 15.960000000000001 110.74 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 62.0 t -67.97 -49.27 69.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.055 -0.521 . . . . 14.19 111.01 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.9 tttm -55.41 -51.03 68.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 14.35 110.608 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -54.3 -39.3 66.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 11.890000000000001 110.579 179.676 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.662 ' HE2' HG21 ' C' ' 73' ' ' THR . 53.9 ttp -65.59 -40.69 92.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 7.4400000000000004 110.568 179.754 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.459 HG13 ' HG ' ' A' ' 74' ' ' LEU . 73.5 t -71.17 -41.52 75.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.029 -0.532 . . . . 8.9000000000000004 110.837 179.755 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.498 ' CZ ' ' HD3' ' A' ' 75' ' ' LYS . 19.6 t80 -51.95 -60.77 2.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.34 -0.391 . . . . 9.1500000000000004 110.591 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -52.23 -45.73 65.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 11.380000000000001 110.771 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.65 HG21 ' HE2' ' C' ' 69' ' ' MET . 18.5 m -64.2 -69.3 0.29 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.354 -0.384 . . . . 13.300000000000001 110.356 179.714 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.47 ' CD1' ' CB ' ' B' ' 62' ' ' GLN . 14.8 mt -50.37 -36.09 31.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 14.76 110.961 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.498 ' HD3' ' CZ ' ' A' ' 71' ' ' PHE . 7.8 tttp -55.46 -67.6 0.27 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.121 0.486 . . . . 13.24 110.107 179.408 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.51 -32.03 72.88 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.543 -0.753 . . . . 16.390000000000001 110.842 179.59 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.548 ' C ' HD12 ' A' ' 77' ' ' LEU . 1.2 tp -65.58 -65.04 0.73 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.329 -0.396 . . . . 21.23 110.629 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.645 ' OH ' HG13 ' D' ' 70' ' ' VAL . 22.7 m-30 -55.85 -24.63 37.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 23.579999999999998 110.759 179.67 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.09 -27.72 64.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.311 -0.404 . . . . 28.75 110.47 179.661 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.46 -41.77 96.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.106 -0.497 . . . . 27.539999999999999 110.687 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 70.9 p . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.035 -0.53 . . . . 33.039999999999999 110.764 179.791 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 2.1 t0 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.962 0.411 . . . . 33.759999999999998 110.949 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -51.58 -38.02 52.49 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.079 -0.509 . . . . 31.199999999999999 111.022 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.53 -52.21 23.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 29.52 110.837 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 17.7 mtt180 -57.79 -26.67 62.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 30.760000000000002 110.684 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 58' ' ' LEU . . . . . 0.879 HD13 ' CG2' ' D' ' 73' ' ' THR . 24.8 mt -76.21 -51.95 11.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.112 -0.495 . . . . 21.879999999999999 110.886 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.08 -50.52 72.53 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.991 -0.549 . . . . 18.800000000000001 110.954 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -59.57 -51.23 70.71 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.175 -0.466 . . . . 18.149999999999999 110.882 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 61' ' ' GLU . . . . . 0.405 ' O ' ' HG2' ' B' ' 64' ' ' GLU . 21.6 tp10 -58.27 -36.67 73.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 11.5 110.727 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 62' ' ' GLN . . . . . 0.515 ' O ' HG23 ' B' ' 66' ' ' VAL . 0.1 OUTLIER -73.93 -49.46 24.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.986 -0.552 . . . . 11.24 110.891 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 1.5 m -58.71 -55.63 32.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.891 0.377 . . . . 16.649999999999999 110.349 179.615 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 64' ' ' GLU . . . . . 0.439 ' HG3' ' N ' ' B' ' 65' ' ' LEU . 10.4 pt-20 -48.2 -37.71 16.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.079 -0.509 . . . . 19.039999999999999 110.685 179.567 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 65' ' ' LEU . . . . . 0.439 ' N ' ' HG3' ' B' ' 64' ' ' GLU . 0.1 OUTLIER -63.03 -40.39 97.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.93 -0.577 . . . . 9.5099999999999998 110.594 179.657 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 66' ' ' VAL . . . . . 0.515 HG23 ' O ' ' B' ' 62' ' ' GLN . 3.5 t -64.19 -38.64 83.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.092 -0.504 . . . . 8.4800000000000004 110.95 179.801 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 67' ' ' LYS . . . . . 0.411 ' HG2' ' HB3' ' A' ' 63' ' ' SER . 0.0 OUTLIER -54.99 -63.8 1.04 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.048 -0.524 . . . . 17.23 110.735 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 1.3 ttmp? -50.82 -32.33 19.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.279 -0.419 . . . . 9.6199999999999992 110.638 179.751 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 69' ' ' MET . . . . . 0.452 ' HE2' HG13 ' B' ' 66' ' ' VAL . 26.4 ttp -68.28 -53.16 26.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.009 -0.541 . . . . 10.98 110.653 179.719 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.72 HG13 ' OH ' ' C' ' 78' ' ' TYR . 58.9 t -69.98 -25.13 27.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 11.699999999999999 110.842 179.756 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -59.81 -45.9 90.9 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.125 -0.489 . . . . 18.620000000000001 110.669 179.762 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.71 -46.36 79.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.12 -0.491 . . . . 24.109999999999999 110.676 179.752 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 73' ' ' THR . . . . . 0.88 ' CG2' HD13 ' D' ' 58' ' ' LEU . 96.5 m -51.84 -60.79 2.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 22.07 110.82 179.788 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 74' ' ' LEU . . . . . 0.776 HD23 HD12 ' B' ' 77' ' ' LEU . 29.5 mt -50.2 -47.41 54.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 26.899999999999999 110.998 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 6.4 tttt -49.94 -41.45 46.39 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.338 -0.392 . . . . 29.899999999999999 110.835 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -79.11 -26.69 42.89 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.957 -0.565 . . . . 29.48 110.771 179.779 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.776 HD12 HD23 ' B' ' 74' ' ' LEU . 18.7 mt -67.6 -46.26 73.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.065 -0.516 . . . . 28.859999999999999 111.036 -179.867 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -71.23 -60.49 2.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 34.799999999999997 111.025 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 16.6 ptmt . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 40.729999999999997 111.171 -179.66 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.184 0 CA-C-O 120.795 0.331 . . . . 31.329999999999998 110.6 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -62.46 -57.98 9.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.465 . . . . 27.739999999999998 110.376 179.552 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 57' ' ' ARG . . . . . . . . . . . . . 15.3 ptp180 -61.22 -44.9 96.52 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.949 -0.568 . . . . 28.850000000000001 110.178 179.461 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 58' ' ' LEU . . . . . 0.63 ' C ' HD13 ' C' ' 58' ' ' LEU . 1.6 tm? -58.49 -45.11 89.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.657 -0.702 . . . . 30.27 110.525 179.453 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 59' ' ' ALA . . . . . 0.41 ' O ' HD12 ' D' ' 74' ' ' LEU . . . -55.67 -37.33 68.15 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.916 -0.584 . . . . 25.0 110.882 179.672 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -62.06 -38.25 88.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.095 -0.502 . . . . 24.52 110.68 179.782 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 56.2 tt0 -55.46 -63.94 1.01 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.071 -0.513 . . . . 25.25 110.737 179.758 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 62' ' ' GLN . . . . . 0.428 ' N ' ' OE1' ' C' ' 62' ' ' GLN . 0.1 OUTLIER -50.78 -38.6 49.11 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.989 -0.551 . . . . 18.579999999999998 110.85 179.783 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' C' C ' 63' ' ' SER . . . . . . . . . . . . . 5.2 m -59.53 -30.93 68.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.117 -0.492 . . . . 16.32 110.606 179.73 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.91 -38.77 66.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.08 -0.509 . . . . 18.75 110.791 179.747 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 65' ' ' LEU . . . . . . . . . . . . . 23.4 mt -56.93 -41.23 77.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.471 . . . . 18.579999999999998 110.719 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 66' ' ' VAL . . . . . . . . . . . . . 61.6 t -67.94 -49.3 69.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.105 -0.498 . . . . 10.19 110.955 179.785 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 67' ' ' LYS . . . . . . . . . . . . . 7.8 tttm -55.07 -51.28 66.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 14.83 110.683 179.717 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 68' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -54.21 -39.44 66.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 22.23 110.668 179.721 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 69' ' ' MET . . . . . 0.65 ' HE2' HG21 ' A' ' 73' ' ' THR . 53.9 ttp -65.4 -40.66 93.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.109 -0.496 . . . . 9.3699999999999992 110.65 179.684 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 70' ' ' VAL . . . . . 0.455 HG13 ' HG ' ' C' ' 74' ' ' LEU . 73.5 t -71.24 -41.28 74.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.047 -0.524 . . . . 7.4000000000000004 110.826 179.81 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 71' ' ' PHE . . . . . 0.49 ' CZ ' ' HD3' ' C' ' 75' ' ' LYS . 19.7 t80 -52.36 -60.56 3.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.409 -0.36 . . . . 19.170000000000002 110.557 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -52.23 -45.98 65.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.279 -0.419 . . . . 12.08 110.695 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 73' ' ' THR . . . . . 0.662 HG21 ' HE2' ' A' ' 69' ' ' MET . 18.7 m -63.92 -69.35 0.28 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.29 -0.414 . . . . 9.9000000000000004 110.362 179.738 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 74' ' ' LEU . . . . . 0.476 ' CD1' ' CB ' ' D' ' 62' ' ' GLN . 14.9 mt -50.42 -36.1 31.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 17.379999999999999 110.962 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 75' ' ' LYS . . . . . 0.49 ' HD3' ' CZ ' ' C' ' 71' ' ' PHE . 7.9 tttp -55.53 -67.46 0.28 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.13 -0.486 . . . . 20.0 110.06 179.49 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 76' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.56 -32.09 73.0 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.641 -0.708 . . . . 17.050000000000001 110.799 179.601 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 77' ' ' LEU . . . . . 0.537 ' C ' HD12 ' C' ' 77' ' ' LEU . 1.2 tp -65.51 -65.18 0.71 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.297 -0.41 . . . . 19.52 110.642 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 78' ' ' TYR . . . . . 0.72 ' OH ' HG13 ' B' ' 70' ' ' VAL . 22.7 m-30 -55.75 -24.68 36.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.433 . . . . 26.289999999999999 110.703 179.776 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.89 -27.91 65.19 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.319 -0.4 . . . . 27.059999999999999 110.494 179.621 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.3 -41.65 96.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.092 -0.504 . . . . 31.510000000000002 110.799 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 81' ' ' THR . . . . . . . . . . . . . 69.5 p . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.061 -0.518 . . . . 34.329999999999998 110.791 179.8 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 2.1 t0 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.868 0.366 . . . . 32.600000000000001 110.923 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' D' D ' 55' ' ' ALA . . . . . . . . . . . . . . . -51.72 -37.96 53.23 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.121 -0.49 . . . . 31.52 110.995 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.6 -52.1 23.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 30.43 110.816 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 57' ' ' ARG . . . . . . . . . . . . . 17.5 mtt180 -57.73 -26.77 62.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 22.559999999999999 110.735 179.792 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 58' ' ' LEU . . . . . 0.88 HD13 ' CG2' ' B' ' 73' ' ' THR . 23.8 mt -76.01 -52.65 9.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.038 -0.528 . . . . 18.68 110.896 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 59' ' ' ALA . . . . . . . . . . . . . . . -56.45 -50.79 70.66 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.008 -0.542 . . . . 19.09 110.909 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 60' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -59.43 -51.33 70.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 24.800000000000001 110.884 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 61' ' ' GLU . . . . . . . . . . . . . 21.5 tp10 -58.09 -36.71 73.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.233 -0.44 . . . . 17.02 110.754 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 62' ' ' GLN . . . . . 0.505 ' O ' HG23 ' D' ' 66' ' ' VAL . 0.0 OUTLIER -74.05 -49.65 23.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.022 -0.535 . . . . 14.619999999999999 110.919 179.931 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' D' D ' 63' ' ' SER . . . . . . . . . . . . . 1.5 m -58.31 -55.61 32.82 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.979 0.418 . . . . 13.4 110.319 179.702 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 64' ' ' GLU . . . . . 0.439 ' HG3' ' N ' ' D' ' 65' ' ' LEU . 10.3 pt-20 -48.34 -37.64 17.14 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.972 -0.558 . . . . 8.3499999999999996 110.583 179.581 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 65' ' ' LEU . . . . . 0.439 ' N ' ' HG3' ' D' ' 64' ' ' GLU . 0.1 OUTLIER -63.04 -40.48 97.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.953 -0.567 . . . . 6.0 110.614 179.653 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' D' D ' 66' ' ' VAL . . . . . 0.505 HG23 ' O ' ' D' ' 62' ' ' GLN . 3.6 t -64.11 -38.62 82.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.068 -0.514 . . . . 5.6299999999999999 110.964 179.765 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.96 -63.77 1.05 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.086 -0.506 . . . . 12.74 110.804 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 68' ' ' LYS . . . . . . . . . . . . . 1.3 ttmp? -50.77 -32.31 19.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.22 -0.445 . . . . 17.629999999999999 110.596 179.759 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 69' ' ' MET . . . . . 0.455 ' HE2' HG13 ' D' ' 66' ' ' VAL . 26.3 ttp -68.06 -53.53 24.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.011 -0.541 . . . . 12.93 110.668 179.65 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 70' ' ' VAL . . . . . 0.645 HG13 ' OH ' ' A' ' 78' ' ' TYR . 58.7 t -69.89 -24.88 27.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.06 -0.518 . . . . 15.140000000000001 110.862 179.756 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 26.2 t80 -59.97 -46.04 90.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 24.0 110.617 179.719 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.58 -46.39 79.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 28.149999999999999 110.63 179.699 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 73' ' ' THR . . . . . 0.879 ' CG2' HD13 ' B' ' 58' ' ' LEU . 97.3 m -51.82 -60.72 2.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.101 -0.5 . . . . 23.399999999999999 110.864 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 74' ' ' LEU . . . . . 0.774 HD23 HD12 ' D' ' 77' ' ' LEU . 29.3 mt -50.36 -47.35 56.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.487 . . . . 21.66 110.919 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 75' ' ' LYS . . . . . . . . . . . . . 6.6 tttt -49.98 -41.34 46.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.939 0.399 . . . . 25.989999999999998 110.795 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 76' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -79.28 -26.64 42.3 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.991 -0.55 . . . . 29.550000000000001 110.729 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 77' ' ' LEU . . . . . 0.774 HD12 HD23 ' D' ' 74' ' ' LEU . 18.9 mt -67.5 -46.38 73.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.07 -0.514 . . . . 30.66 111.039 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 78' ' ' TYR . . . . . 0.512 ' CE1' HD12 ' C' ' 58' ' ' LEU . 2.5 m-85 -71.11 -60.43 2.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.096 -0.502 . . . . 31.84 111.145 -179.847 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 79' ' ' LYS . . . . . . . . . . . . . 16.6 ptmt . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 41.18 111.123 -179.715 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.505 ' HB1' ' CG ' ' B' ' 78' ' ' TYR . . . . . . . . 0 N--CA 1.457 -0.116 0 CA-C-O 120.884 0.373 . . . . 34.299999999999997 110.61 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -67.51 -55.93 11.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.083 -0.508 . . . . 29.41 110.426 179.534 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.49 -42.2 91.61 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.794 -0.639 . . . . 34.030000000000001 110.41 179.491 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.42 HD23 ' HA ' ' A' ' 58' ' ' LEU . 14.5 mt -58.08 -47.4 83.33 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.905 -0.589 . . . . 32.25 110.644 179.604 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.6 -38.85 56.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 23.57 110.996 179.758 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.7 -28.59 64.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.06 -0.518 . . . . 20.850000000000001 110.677 179.773 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -78.74 -40.28 33.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 22.800000000000001 110.651 179.811 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.423 ' HB2' HD13 ' B' ' 74' ' ' LEU . 54.6 mm-40 -66.82 -40.29 87.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.054 -0.521 . . . . 18.780000000000001 110.44 179.652 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.9 p -62.77 -38.22 89.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 18.140000000000001 110.548 179.634 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.416 ' HA ' ' HG2' ' A' ' 67' ' ' LYS . 1.9 mm-40 -60.49 -37.53 81.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 21.039999999999999 110.731 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.79 -34.04 77.41 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.132 -0.486 . . . . 19.829999999999998 110.726 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.433 ' O ' HG23 ' A' ' 70' ' ' VAL . 48.2 t -81.99 -33.43 11.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 12.41 111.624 -179.757 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.416 ' HG2' ' HA ' ' A' ' 64' ' ' GLU . 14.0 ptmt -73.94 -30.37 62.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.981 0.42 . . . . 9.0700000000000003 110.384 179.672 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 13.7 ttmt -74.49 -44.22 52.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.848 -0.615 . . . . 18.41 110.445 179.619 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.515 ' SD ' HG21 ' C' ' 73' ' ' THR . 6.4 ptt? -63.44 -37.47 87.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.26 -0.427 . . . . 9.4100000000000001 110.261 179.575 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 66' ' ' VAL . 46.9 t -70.69 -40.19 76.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.014 -0.539 . . . . 8.8599999999999994 110.309 179.234 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.427 ' O ' ' CB ' ' A' ' 75' ' ' LYS . 67.0 t80 -54.15 -59.69 4.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.057 -0.52 . . . . 20.460000000000001 110.224 179.446 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -53.33 -46.16 69.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 14.619999999999999 110.474 179.735 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.418 HG21 ' SD ' ' C' ' 69' ' ' MET . 18.3 m -60.65 -70.23 0.19 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.22 -0.446 . . . . 8.2799999999999994 110.199 179.519 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.724 HD12 ' HB2' ' B' ' 62' ' ' GLN . 15.5 mt -51.41 -35.66 40.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 15.15 110.944 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.427 ' CB ' ' O ' ' A' ' 71' ' ' PHE . 8.3 tttt -55.43 -68.61 0.18 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.108 -0.496 . . . . 18.969999999999999 110.186 179.474 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.19 -31.21 72.3 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.651 -0.704 . . . . 18.82 110.76 179.677 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.713 ' O ' HD12 ' A' ' 77' ' ' LEU . 1.7 tp -64.88 -46.13 83.07 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.421 -0.354 . . . . 20.719999999999999 110.457 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.526 ' CD1' HD11 ' D' ' 77' ' ' LEU . 21.2 m-30 -71.37 -23.2 61.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 28.199999999999999 110.595 179.523 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.1 tppp? -74.55 -28.99 61.19 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.326 -0.397 . . . . 26.18 110.507 179.608 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 2.2 mttm -68.29 -36.28 79.14 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.13 -0.486 . . . . 31.350000000000001 110.821 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.076 -0.511 . . . . 34.060000000000002 110.879 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.757 0.313 . . . . 31.800000000000001 111.042 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -52.13 -43.23 63.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.291 -0.413 . . . . 29.010000000000002 110.774 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -71.75 -49.44 39.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.018 -0.537 . . . . 31.399999999999999 110.516 179.672 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -54.97 -34.99 63.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 23.469999999999999 110.522 179.612 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 58' ' ' LEU . . . . . 0.912 HD22 HG23 ' D' ' 73' ' ' THR . 8.6 mt -65.45 -60.95 2.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.951 -0.568 . . . . 20.170000000000002 110.712 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -45.75 -32.66 2.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.941 -0.572 . . . . 19.59 111.182 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 46.7 t0 -65.05 -43.98 90.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.96 -0.564 . . . . 23.57 110.474 179.699 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 62.0 mm-40 -66.31 -34.99 79.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.108 -0.497 . . . . 17.48 110.496 179.63 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 62' ' ' GLN . . . . . 0.724 ' HB2' HD12 ' A' ' 74' ' ' LEU . 3.0 mm-40 -70.36 -45.76 65.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.058 -0.519 . . . . 10.83 110.574 179.572 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.03 -60.39 3.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.071 -0.513 . . . . 14.08 110.573 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -51.2 -33.05 25.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.313 -0.403 . . . . 10.01 110.407 179.612 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.35 -49.09 62.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.934 -0.575 . . . . 8.1699999999999999 110.446 179.574 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 66' ' ' VAL . . . . . 0.661 HG13 ' HE2' ' B' ' 69' ' ' MET . 26.2 t -64.35 -32.74 58.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 5.7400000000000002 111.003 179.787 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -59.61 -60.48 3.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.112 -0.495 . . . . 6.1600000000000001 110.795 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 20.1 tttt -53.91 -34.09 58.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.919 0.39 . . . . 14.52 110.666 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 69' ' ' MET . . . . . 0.661 ' HE2' HG13 ' B' ' 66' ' ' VAL . 47.8 ttp -65.6 -49.51 68.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.066 -0.515 . . . . 12.51 110.451 179.736 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 92.3 t -74.67 -24.38 18.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.97 -0.559 . . . . 14.01 110.935 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 28.3 t80 -61.43 -43.76 98.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.278 -0.419 . . . . 20.010000000000002 110.58 179.706 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -68.77 -43.46 75.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 26.390000000000001 110.581 179.746 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 73' ' ' THR . . . . . 0.937 HG23 HD22 ' D' ' 58' ' ' LEU . 88.9 m -57.87 -55.47 34.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.208 -0.451 . . . . 24.969999999999999 110.84 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 74' ' ' LEU . . . . . 0.599 HD23 HD12 ' B' ' 77' ' ' LEU . 85.3 mt -54.06 -42.11 68.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 23.699999999999999 110.705 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.03 -42.33 60.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 25.120000000000001 110.699 179.8 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 76' ' ' ASP . . . . . 0.439 ' HA ' ' CD ' ' B' ' 79' ' ' LYS . 8.4 m-20 -80.05 -23.85 41.09 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.962 -0.563 . . . . 28.030000000000001 110.982 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.599 HD12 HD23 ' B' ' 74' ' ' LEU . 26.4 mt -69.66 -35.04 74.82 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.215 -0.448 . . . . 28.91 111.13 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 78' ' ' TYR . . . . . 0.505 ' CG ' ' HB1' ' A' ' 55' ' ' ALA . 24.3 m-85 -81.18 -58.56 3.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.304 -0.407 . . . . 31.300000000000001 111.08 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 79' ' ' LYS . . . . . 0.439 ' CD ' ' HA ' ' B' ' 76' ' ' ASP . 1.5 pttt . . . . . 0 C--N 1.331 -0.235 0 CA-C-N 116.263 -0.426 . . . . 42.950000000000003 111.034 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.156 0 CA-C-O 120.9 0.381 . . . . 32.759999999999998 110.578 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -67.6 -55.93 11.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.929 -0.578 . . . . 28.609999999999999 110.401 179.596 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.37 -42.59 91.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.865 -0.607 . . . . 32.490000000000002 110.386 179.539 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 58' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' C' ' 58' ' ' LEU . 14.8 mt -57.72 -47.39 82.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.829 -0.623 . . . . 24.600000000000001 110.669 179.664 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.74 -38.61 56.05 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.105 -0.498 . . . . 22.120000000000001 110.857 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.97 -28.57 64.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 24.379999999999999 110.631 179.825 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -78.78 -40.03 34.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 26.129999999999999 110.716 179.737 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 53.9 mm-40 -67.03 -40.21 87.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.01 -0.541 . . . . 24.010000000000002 110.451 179.638 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 63' ' ' SER . . . . . 0.42 ' HB2' ' CG ' ' D' ' 67' ' ' LYS . 4.9 p -62.86 -38.38 90.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.087 -0.506 . . . . 16.329999999999998 110.474 179.687 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 64' ' ' GLU . . . . . 0.411 ' O ' ' HG2' ' C' ' 67' ' ' LYS . 1.9 mm-40 -60.33 -37.54 80.94 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.115 -0.493 . . . . 21.52 110.772 179.795 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 65' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.75 -34.2 77.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 14.529999999999999 110.782 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 66' ' ' VAL . . . . . 0.444 ' O ' HG23 ' C' ' 70' ' ' VAL . 48.0 t -81.84 -33.39 11.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 12.35 111.66 -179.755 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 67' ' ' LYS . . . . . 0.411 ' HG2' ' O ' ' C' ' 64' ' ' GLU . 14.0 ptmt -74.18 -30.08 62.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.93 0.395 . . . . 18.82 110.317 179.832 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 68' ' ' LYS . . . . . . . . . . . . . 13.7 ttmt -74.7 -44.25 51.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.916 -0.584 . . . . 16.109999999999999 110.434 179.6 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 69' ' ' MET . . . . . 0.431 ' HG2' ' O ' ' C' ' 66' ' ' VAL . 6.3 ptt? -63.28 -37.44 87.25 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.239 -0.437 . . . . 6.8899999999999997 110.233 179.467 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 70' ' ' VAL . . . . . 0.444 HG23 ' O ' ' C' ' 66' ' ' VAL . 48.0 t -70.81 -40.12 76.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.997 -0.547 . . . . 6.5999999999999996 110.298 179.28 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 71' ' ' PHE . . . . . 0.426 ' O ' ' CB ' ' C' ' 75' ' ' LYS . 66.5 t80 -54.26 -59.73 4.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 8.1500000000000004 110.168 179.485 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -53.2 -46.09 68.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.268 -0.424 . . . . 10.029999999999999 110.511 179.704 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 73' ' ' THR . . . . . 0.515 HG21 ' SD ' ' A' ' 69' ' ' MET . 18.1 m -60.83 -70.28 0.19 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 14.48 110.209 179.586 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 74' ' ' LEU . . . . . 0.737 HD12 ' HB2' ' D' ' 62' ' ' GLN . 15.3 mt -51.43 -35.42 39.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.066 -0.515 . . . . 17.039999999999999 110.949 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 75' ' ' LYS . . . . . 0.426 ' CB ' ' O ' ' C' ' 71' ' ' PHE . 8.3 tttt -55.76 -68.4 0.21 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.204 -0.453 . . . . 17.140000000000001 110.218 179.465 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 76' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.13 -31.38 72.5 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.723 -0.671 . . . . 14.66 110.794 179.534 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 77' ' ' LEU . . . . . 0.723 ' O ' HD12 ' C' ' 77' ' ' LEU . 1.7 tp -64.65 -46.28 83.18 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.354 -0.384 . . . . 20.350000000000001 110.53 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 78' ' ' TYR . . . . . 0.537 ' CD1' HD11 ' B' ' 77' ' ' LEU . 21.2 m-30 -71.32 -23.21 61.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 23.5 110.641 179.568 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 1.1 tppp? -74.51 -29.18 61.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.298 -0.41 . . . . 28.609999999999999 110.491 179.525 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 2.2 mttm -67.94 -36.52 80.28 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.149 -0.478 . . . . 26.989999999999998 110.832 179.8 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 81' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.081 -0.509 . . . . 32.479999999999997 110.953 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.733 0.302 . . . . 35.399999999999999 111.109 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' D' D ' 55' ' ' ALA . . . . . . . . . . . . . . . -52.06 -43.06 63.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.943 0.401 . . . . 33.530000000000001 110.82 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -71.87 -49.41 38.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.055 -0.52 . . . . 30.260000000000002 110.538 179.647 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 57' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -54.96 -35.13 63.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 33.299999999999997 110.516 179.596 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 58' ' ' LEU . . . . . 0.937 HD22 HG23 ' B' ' 73' ' ' THR . 8.5 mt -65.37 -60.6 2.8 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.008 -0.542 . . . . 21.16 110.747 179.837 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 59' ' ' ALA . . . . . . . . . . . . . . . -46.21 -32.41 3.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.919 -0.582 . . . . 17.27 111.091 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 60' ' ' ASP . . . . . . . . . . . . . 46.9 t0 -65.23 -44.2 88.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.095 -0.502 . . . . 19.420000000000002 110.481 179.649 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 61' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 -65.84 -35.16 79.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 13.369999999999999 110.5 179.617 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 62' ' ' GLN . . . . . 0.737 ' HB2' HD12 ' C' ' 74' ' ' LEU . 2.9 mm-40 -70.22 -46.5 64.39 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.86 -0.609 . . . . 13.31 110.513 179.643 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 63' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.35 -60.35 3.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.087 -0.506 . . . . 15.48 110.652 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 64' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -51.2 -33.17 26.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.26 -0.427 . . . . 16.27 110.422 179.658 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.22 -49.18 62.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.994 -0.548 . . . . 7.9699999999999998 110.424 179.492 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 66' ' ' VAL . . . . . 0.653 HG23 ' O ' ' D' ' 62' ' ' GLN . 27.4 t -64.2 -32.84 59.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.169 -0.469 . . . . 7.96 111.018 179.837 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 67' ' ' LYS . . . . . 0.42 ' CG ' ' HB2' ' C' ' 63' ' ' SER . 0.9 OUTLIER -59.57 -60.31 4.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.05 -0.523 . . . . 20.489999999999998 110.873 179.939 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' D' D ' 68' ' ' LYS . . . . . . . . . . . . . 20.1 tttt -54.0 -34.21 59.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.425 . . . . 14.27 110.662 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 69' ' ' MET . . . . . 0.617 ' HE2' HG13 ' D' ' 66' ' ' VAL . 47.0 ttp -65.44 -49.29 69.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.063 -0.517 . . . . 11.970000000000001 110.569 179.632 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 70' ' ' VAL . . . . . . . . . . . . . 93.6 t -74.85 -24.39 18.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.953 -0.567 . . . . 13.970000000000001 110.991 179.775 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 28.5 t80 -61.38 -43.84 98.17 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.3 -0.409 . . . . 21.120000000000001 110.55 179.688 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -68.73 -43.38 76.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.066 -0.515 . . . . 25.379999999999999 110.73 179.753 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 73' ' ' THR . . . . . 0.912 HG23 HD22 ' B' ' 58' ' ' LEU . 87.8 m -57.99 -55.4 35.35 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.162 -0.472 . . . . 20.289999999999999 110.826 179.81 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 74' ' ' LEU . . . . . 0.604 HD23 HD12 ' D' ' 77' ' ' LEU . 85.4 mt -54.01 -42.24 68.88 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.138 -0.483 . . . . 24.789999999999999 110.746 179.83 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 75' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -50.86 -42.3 58.75 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.17 -0.468 . . . . 30.390000000000001 110.755 179.78 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 76' ' ' ASP . . . . . 0.439 ' HA ' ' CD ' ' D' ' 79' ' ' LYS . 8.5 m-20 -79.96 -24.23 41.12 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.99 -0.55 . . . . 30.789999999999999 111.023 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 77' ' ' LEU . . . . . 0.604 HD12 HD23 ' D' ' 74' ' ' LEU . 26.3 mt -69.31 -35.24 75.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.138 -0.483 . . . . 29.23 111.06 -179.848 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 78' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -81.13 -58.26 3.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.275 -0.421 . . . . 34.479999999999997 111.156 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 79' ' ' LYS . . . . . 0.439 ' CD ' ' HA ' ' D' ' 76' ' ' ASP . 1.5 pttt . . . . . 0 C--N 1.331 -0.237 0 CA-C-N 116.229 -0.442 . . . . 38.840000000000003 111.008 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.142 0 CA-C-O 120.914 0.388 . . . . 35.57 110.785 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 77.3 tt0 -62.48 -51.23 68.28 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.135 -0.484 . . . . 30.739999999999998 110.437 179.598 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 2.7 ttp180 -64.11 -46.88 82.25 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.875 -0.602 . . . . 38.759999999999998 110.386 179.587 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' A' ' 58' ' ' LEU . 14.6 mt -53.95 -46.41 71.57 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.881 -0.6 . . . . 27.07 110.551 179.581 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.65 -41.91 61.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.07 -0.514 . . . . 20.850000000000001 110.609 179.701 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -66.1 -32.23 73.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.888 -0.596 . . . . 20.199999999999999 110.515 179.617 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -68.86 -45.87 69.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.079 -0.509 . . . . 22.449999999999999 110.615 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 38.4 mm-40 -63.68 -38.11 89.87 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.029 -0.532 . . . . 24.870000000000001 110.487 179.645 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.7 m -62.48 -40.39 96.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.02 -0.537 . . . . 17.109999999999999 110.543 179.642 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -59.1 -36.59 75.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.019 -0.537 . . . . 25.960000000000001 110.6 179.703 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.401 ' O ' ' HG3' ' A' ' 68' ' ' LYS . 1.1 mt -63.8 -41.35 97.93 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.028 -0.533 . . . . 17.260000000000002 110.74 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 36.9 t -74.71 -45.36 44.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 14.789999999999999 110.71 179.789 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.7 tttm -58.5 -56.37 23.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.007 -0.542 . . . . 11.6 110.57 179.647 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.401 ' HG3' ' O ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -55.39 -31.28 61.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.263 -0.426 . . . . 12.48 110.483 179.76 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.506 ' HE2' HG21 ' C' ' 73' ' ' THR . 66.5 ttp -69.62 -39.18 77.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.038 -0.528 . . . . 7.6600000000000001 110.665 179.709 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 70.2 t -74.24 -35.74 41.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.05 -0.523 . . . . 9.2599999999999998 110.869 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.43 ' O ' ' CB ' ' A' ' 75' ' ' LYS . 56.3 t80 -56.25 -63.68 1.11 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.4 -0.364 . . . . 12.81 110.517 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -51.05 -40.32 58.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.37 -0.377 . . . . 12.67 110.643 179.772 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.587 HG21 ' HE2' ' C' ' 69' ' ' MET . 21.7 m -66.44 -73.34 0.13 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.242 -0.435 . . . . 12.109999999999999 110.385 179.732 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.659 HD12 ' HB2' ' B' ' 62' ' ' GLN . 17.4 mt -49.57 -36.85 25.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.035 -0.53 . . . . 13.869999999999999 111.028 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.43 ' CB ' ' O ' ' A' ' 71' ' ' PHE . 10.4 tttt -57.32 -67.51 0.32 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.192 0.52 . . . . 13.74 109.971 179.332 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.16 -26.89 69.02 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.558 -0.746 . . . . 17.030000000000001 110.786 179.699 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.615 ' C ' HD12 ' A' ' 77' ' ' LEU . 0.6 OUTLIER -68.21 -59.75 2.98 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.43 -0.35 . . . . 21.289999999999999 110.437 179.831 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.842 ' OH ' HG13 ' D' ' 70' ' ' VAL . 20.0 m-85 -60.21 -24.49 64.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.881 0.372 . . . . 25.41 110.38 179.372 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 8.4 tttt -66.11 -35.62 80.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 25.48 110.39 179.571 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.95 -30.36 69.64 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.004 -0.544 . . . . 27.649999999999999 110.888 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.147 -0.478 . . . . 33.799999999999997 110.879 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.528 0.122 0 CA-C-O 120.641 0.258 . . . . 33.460000000000001 111.454 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -48.96 -39.02 24.81 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.908 0.385 . . . . 30.399999999999999 111.211 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -77.48 -48.27 17.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.146 -0.479 . . . . 31.050000000000001 110.686 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 20.2 mmm180 -54.02 -35.71 62.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.015 0.436 . . . . 27.309999999999999 110.388 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 58' ' ' LEU . . . . . 0.905 HD22 HG23 ' D' ' 73' ' ' THR . 13.3 mt -65.59 -63.86 1.0 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.916 -0.584 . . . . 22.52 110.842 179.814 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -46.69 -27.39 1.16 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.836 -0.62 . . . . 19.59 111.326 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.02 -60.75 2.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 20.079999999999998 110.92 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -60.11 -24.43 64.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.308 -0.406 . . . . 11.68 110.628 179.715 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 62' ' ' GLN . . . . . 0.693 ' O ' HG23 ' B' ' 66' ' ' VAL . 2.4 mm-40 -72.79 -43.99 62.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.099 -0.5 . . . . 11.4 111.011 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 1.4 m -64.39 -59.33 4.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.331 -0.395 . . . . 17.0 110.817 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -48.96 -33.41 10.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.47 . . . . 16.539999999999999 110.934 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.97 -44.0 86.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.056 -0.52 . . . . 10.34 110.898 179.77 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 66' ' ' VAL . . . . . 0.693 HG23 ' O ' ' B' ' 62' ' ' GLN . 3.4 t -62.99 -35.24 70.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.09 -0.505 . . . . 8.4499999999999993 111.392 -179.821 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.56 -54.3 47.12 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.268 -0.424 . . . . 15.710000000000001 110.982 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 14.4 tttt -54.43 -35.82 63.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.304 -0.407 . . . . 9.5999999999999996 111.005 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 69' ' ' MET . . . . . 0.46 ' HE1' ' HB3' ' D' ' 62' ' ' GLN . 40.1 ttp -68.87 -50.93 45.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 11.25 110.828 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.79 HG13 ' OH ' ' C' ' 78' ' ' TYR . 58.7 t -75.02 -20.04 16.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 11.02 111.367 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -66.63 -43.99 83.2 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.884 0.373 . . . . 18.27 110.689 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -68.65 -43.26 76.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 23.829999999999998 110.707 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 73' ' ' THR . . . . . 0.855 HG23 HD22 ' D' ' 58' ' ' LEU . 55.8 m -56.16 -55.94 27.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 23.620000000000001 110.935 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 74' ' ' LEU . . . . . 0.524 ' HA ' HD12 ' B' ' 77' ' ' LEU . 24.5 mt -49.96 -41.09 45.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.434 . . . . 27.350000000000001 110.925 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.63 -47.03 63.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.968 0.414 . . . . 29.210000000000001 110.561 179.773 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.93 -32.09 67.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.907 -0.588 . . . . 28.84 110.532 179.675 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.531 HD11 ' CD1' ' C' ' 78' ' ' TYR . 20.3 mt -61.51 -53.19 59.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.972 -0.558 . . . . 28.690000000000001 110.684 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -73.94 -36.56 64.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.082 -0.508 . . . . 34.299999999999997 110.707 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.083 -0.508 . . . . 40.060000000000002 111.043 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.877 0.37 . . . . 31.199999999999999 110.753 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 77.6 tt0 -62.92 -51.04 68.47 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.232 -0.44 . . . . 28.260000000000002 110.407 179.676 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 57' ' ' ARG . . . . . . . . . . . . . 2.8 ttp180 -64.21 -46.76 82.48 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.873 -0.603 . . . . 28.02 110.394 179.537 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 58' ' ' LEU . . . . . 0.428 HD23 ' HA ' ' C' ' 58' ' ' LEU . 14.7 mt -54.02 -46.6 71.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.815 -0.63 . . . . 30.02 110.571 179.583 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.42 -42.0 61.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 25.02 110.677 179.634 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 27.8 t0 -66.07 -32.18 73.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.923 -0.58 . . . . 25.780000000000001 110.518 179.583 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -68.83 -45.81 70.19 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.085 -0.507 . . . . 26.640000000000001 110.611 179.776 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 62' ' ' GLN . . . . . 0.403 ' HA ' HD12 ' C' ' 65' ' ' LEU . 38.4 mm-40 -63.79 -37.88 89.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.0 -0.546 . . . . 19.030000000000001 110.524 179.657 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 63' ' ' SER . . . . . . . . . . . . . 3.6 m -62.65 -40.36 96.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.021 -0.536 . . . . 16.140000000000001 110.493 179.608 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -59.12 -36.63 75.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 15.390000000000001 110.591 179.702 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 65' ' ' LEU . . . . . 0.405 ' O ' ' HG3' ' C' ' 68' ' ' LYS . 1.2 mt -63.6 -41.49 98.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.079 -0.51 . . . . 17.73 110.765 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 66' ' ' VAL . . . . . . . . . . . . . 38.5 t -74.54 -45.53 45.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 9.7799999999999994 110.739 179.779 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 67' ' ' LYS . . . . . . . . . . . . . 13.4 tttm -58.61 -56.01 27.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.972 -0.558 . . . . 17.109999999999999 110.582 179.752 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 68' ' ' LYS . . . . . 0.405 ' HG3' ' O ' ' C' ' 65' ' ' LEU . 0.0 OUTLIER -55.59 -31.55 62.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 20.039999999999999 110.387 179.683 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' C' C ' 69' ' ' MET . . . . . 0.587 ' HE2' HG21 ' A' ' 73' ' ' THR . 66.5 ttp -69.46 -39.2 77.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.086 -0.506 . . . . 8.8399999999999999 110.631 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 70' ' ' VAL . . . . . 0.402 HG13 ' HG ' ' C' ' 74' ' ' LEU . 74.2 t -74.07 -35.97 43.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.075 -0.511 . . . . 6.5700000000000003 110.933 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 71' ' ' PHE . . . . . 0.422 ' O ' ' CB ' ' C' ' 75' ' ' LYS . 56.0 t80 -56.03 -63.9 1.03 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.395 -0.366 . . . . 17.870000000000001 110.569 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -50.97 -40.33 57.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.352 -0.385 . . . . 11.59 110.623 179.803 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 73' ' ' THR . . . . . 0.506 HG21 ' HE2' ' A' ' 69' ' ' MET . 22.3 m -66.54 -73.32 0.14 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.295 -0.412 . . . . 11.49 110.393 179.652 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 74' ' ' LEU . . . . . 0.624 HD12 ' HB2' ' D' ' 62' ' ' GLN . 16.6 mt -49.51 -36.99 24.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 18.550000000000001 110.977 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 75' ' ' LYS . . . . . 0.422 ' CB ' ' O ' ' C' ' 71' ' ' PHE . 10.4 tttt -57.21 -67.48 0.32 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.228 0.537 . . . . 21.120000000000001 110.055 179.355 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 76' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.16 -26.84 69.0 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.465 -0.789 . . . . 16.219999999999999 110.804 179.677 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 77' ' ' LEU . . . . . 0.608 ' C ' HD12 ' C' ' 77' ' ' LEU . 0.6 OUTLIER -68.39 -59.65 3.02 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.309 -0.405 . . . . 19.289999999999999 110.389 179.938 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' C' C ' 78' ' ' TYR . . . . . 0.79 ' OH ' HG13 ' B' ' 70' ' ' VAL . 20.0 m-85 -60.17 -24.61 64.89 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.887 0.375 . . . . 26.219999999999999 110.369 179.391 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 8.3 tttt -65.91 -35.7 81.35 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.06 -0.518 . . . . 27.300000000000001 110.439 179.595 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.94 -30.25 69.51 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.977 -0.556 . . . . 30.620000000000001 110.942 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.136 -0.484 . . . . 34.060000000000002 110.819 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.529 0.152 0 CA-C-O 120.582 0.23 . . . . 32.82 111.426 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 55' ' ' ALA . . . . . . . . . . . . . . . -49.06 -39.09 26.27 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.853 0.359 . . . . 32.299999999999997 111.213 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -77.37 -48.3 17.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.489 . . . . 30.210000000000001 110.725 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 57' ' ' ARG . . . . . . . . . . . . . 20.2 mmm180 -53.94 -35.7 62.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.284 -0.416 . . . . 22.800000000000001 110.418 179.72 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 58' ' ' LEU . . . . . 0.855 HD22 HG23 ' B' ' 73' ' ' THR . 13.6 mt -65.63 -63.65 1.04 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.885 -0.598 . . . . 18.16 110.73 179.845 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 59' ' ' ALA . . . . . . . . . . . . . . . -46.8 -27.59 1.26 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.841 -0.618 . . . . 18.789999999999999 111.35 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 60' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.73 -61.02 1.99 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.174 -0.466 . . . . 24.890000000000001 110.767 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 61' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -59.94 -24.43 64.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 16.899999999999999 110.707 179.748 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 62' ' ' GLN . . . . . 0.698 ' O ' HG23 ' D' ' 66' ' ' VAL . 2.4 mm-40 -72.64 -43.89 62.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.096 -0.502 . . . . 15.17 110.969 179.819 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 63' ' ' SER . . . . . . . . . . . . . 1.4 m -64.89 -58.79 5.23 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.348 -0.387 . . . . 13.06 110.992 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 64' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -49.33 -33.33 13.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 7.7999999999999998 110.811 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.13 -44.14 85.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.007 -0.542 . . . . 5.8600000000000003 110.841 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 66' ' ' VAL . . . . . 0.698 HG23 ' O ' ' D' ' 62' ' ' GLN . 3.4 t -62.9 -35.12 69.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 5.8499999999999996 111.411 -179.787 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 67' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.68 -54.23 47.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.238 -0.437 . . . . 14.140000000000001 111.047 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 68' ' ' LYS . . . . . . . . . . . . . 14.4 tttt -54.46 -35.78 63.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.349 -0.387 . . . . 19.010000000000002 111.005 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 69' ' ' MET . . . . . 0.45 ' HE1' ' HB3' ' B' ' 62' ' ' GLN . 40.5 ttp -68.73 -50.89 46.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.181 -0.463 . . . . 13.42 110.874 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 70' ' ' VAL . . . . . 0.842 HG13 ' OH ' ' A' ' 78' ' ' TYR . 58.5 t -74.97 -20.38 16.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 15.68 111.464 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 23.2 t80 -66.21 -44.21 84.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.889 0.376 . . . . 25.02 110.649 179.788 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -68.52 -43.47 76.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.097 -0.502 . . . . 29.170000000000002 110.749 179.727 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 73' ' ' THR . . . . . 0.905 HG23 HD22 ' B' ' 58' ' ' LEU . 55.5 m -55.92 -55.89 27.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.102 -0.499 . . . . 22.579999999999998 110.983 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 74' ' ' LEU . . . . . 0.523 ' HA ' HD12 ' D' ' 77' ' ' LEU . 24.4 mt -50.13 -41.01 47.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 21.239999999999998 111.001 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.71 -46.64 63.98 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.303 -0.408 . . . . 26.879999999999999 110.58 179.739 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 76' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.18 -32.16 66.58 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.991 -0.549 . . . . 31.43 110.591 179.628 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 77' ' ' LEU . . . . . 0.553 HD11 ' CD1' ' A' ' 78' ' ' TYR . 20.3 mt -61.46 -53.22 59.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.985 -0.552 . . . . 30.809999999999999 110.705 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 78' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -73.83 -36.53 64.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.066 -0.515 . . . . 32.07 110.774 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.057 -0.52 . . . . 39.390000000000001 111.015 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.728 0.299 . . . . 30.609999999999999 111.093 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -66.12 -53.21 40.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.361 -0.381 . . . . 27.620000000000001 110.657 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 72.0 mtt-85 -62.46 -45.72 91.78 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.069 -0.514 . . . . 26.59 110.47 179.606 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.45 HD23 ' HA ' ' A' ' 58' ' ' LEU . 13.0 mt -53.75 -49.14 68.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.721 -0.672 . . . . 27.93 110.755 179.681 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -52.23 -40.83 62.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.171 -0.468 . . . . 24.32 110.775 179.714 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -71.4 -27.71 63.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.073 -0.512 . . . . 26.629999999999999 110.54 179.638 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -76.03 -51.47 12.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.034 -0.53 . . . . 27.309999999999999 110.673 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.443 ' HB2' HD13 ' B' ' 74' ' ' LEU . 63.0 mm-40 -55.08 -46.38 75.44 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.879 -0.6 . . . . 19.390000000000001 110.7 179.812 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 20.2 p -61.96 -42.4 99.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.217 -0.447 . . . . 15.76 110.507 179.649 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -52.69 -36.26 56.86 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.121 -0.491 . . . . 16.800000000000001 110.361 179.549 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.6 mt -67.71 -41.55 83.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.996 -0.547 . . . . 16.280000000000001 110.421 179.539 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 44.7 t -67.15 -41.51 87.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.058 -0.519 . . . . 9.7400000000000002 110.707 179.511 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -63.7 -45.85 88.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.022 -0.536 . . . . 18.559999999999999 110.549 179.737 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 31.2 ttpt -58.98 -35.7 73.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.104 -0.498 . . . . 21.379999999999999 110.487 179.702 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 30.9 ttp -67.41 -39.54 85.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.001 -0.545 . . . . 8.2400000000000002 110.632 179.665 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.462 HG21 HG21 ' B' ' 66' ' ' VAL . 94.8 t -71.37 -42.59 73.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.054 -0.521 . . . . 5.3899999999999997 110.949 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.482 ' CZ ' ' HD3' ' A' ' 75' ' ' LYS . 59.2 t80 -51.55 -62.98 1.29 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.833 0.349 . . . . 15.43 110.459 179.801 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -51.23 -43.27 61.42 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.232 -0.44 . . . . 8.2699999999999996 110.631 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 20.6 m -66.67 -71.15 0.21 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.471 . . . . 12.779999999999999 110.414 179.668 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.485 ' HB3' ' CE2' ' A' ' 78' ' ' TYR . 15.6 mt -48.32 -36.09 13.62 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.13 -0.486 . . . . 18.960000000000001 110.971 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.482 ' HD3' ' CZ ' ' A' ' 71' ' ' PHE . 0.1 OUTLIER -56.81 -66.37 0.46 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 22.640000000000001 110.185 179.555 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -64.89 -28.4 69.51 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.712 -0.676 . . . . 15.5 110.932 179.742 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.612 ' O ' HD12 ' A' ' 77' ' ' LEU . 0.9 OUTLIER -66.86 -57.7 6.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.281 -0.418 . . . . 19.41 110.548 179.925 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.485 ' CE2' ' HB3' ' A' ' 74' ' ' LEU . 22.1 m-85 -61.54 -25.53 67.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.451 . . . . 25.940000000000001 110.65 179.831 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 11.7 mmtt -71.12 -30.01 65.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 27.170000000000002 110.702 179.776 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.14 -36.34 72.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.13 -0.486 . . . . 29.989999999999998 110.988 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 33.82 110.876 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.457 -0.088 0 CA-C-O 120.86 0.362 . . . . 33.530000000000001 110.76 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.97 -40.09 72.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.081 -0.509 . . . . 32.990000000000002 111.071 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 56' ' ' GLU . . . . . 0.403 ' HG2' ' HD2' ' A' ' 75' ' ' LYS . 1.7 mt-10 -68.71 -42.61 77.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 30.899999999999999 110.784 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 11.1 mtm180 -62.94 -33.98 76.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 23.120000000000001 110.753 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 58' ' ' LEU . . . . . 0.926 HD13 ' CG2' ' D' ' 73' ' ' THR . 91.9 mt -71.23 -51.38 24.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.098 -0.501 . . . . 18.289999999999999 110.734 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 59' ' ' ALA . . . . . 0.414 ' HB2' ' HA ' ' A' ' 75' ' ' LYS . . . -51.0 -31.75 19.07 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.975 -0.557 . . . . 18.879999999999999 111.096 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 60' ' ' ASP . . . . . 0.497 ' HA ' ' HG ' ' B' ' 63' ' ' SER . 63.0 t0 -81.41 -51.71 8.03 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.189 -0.459 . . . . 22.870000000000001 110.927 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -59.05 -41.57 88.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.19 -0.459 . . . . 16.489999999999998 110.789 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 62' ' ' GLN . . . . . 0.447 ' HB3' ' CD1' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -73.34 -42.05 62.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 15.220000000000001 111.131 -179.933 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 63' ' ' SER . . . . . 0.497 ' HG ' ' HA ' ' B' ' 60' ' ' ASP . 96.6 p -65.66 -55.76 15.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.414 -0.357 . . . . 12.94 110.953 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -50.21 -37.12 33.72 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.263 -0.426 . . . . 9.4700000000000006 110.696 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.97 -44.5 94.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.065 -0.516 . . . . 5.5 110.559 179.673 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 66' ' ' VAL . . . . . 0.462 HG21 HG21 ' A' ' 70' ' ' VAL . 56.1 t -56.06 -32.67 34.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.276 -0.42 . . . . 6.5700000000000003 110.782 179.647 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.81 -54.29 44.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.074 -0.512 . . . . 16.920000000000002 110.823 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 6.3 tttt -57.99 -34.54 70.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.343 -0.389 . . . . 18.66 110.651 179.763 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 69' ' ' MET . . . . . . . . . . . . . 25.0 ttp -70.46 -49.93 43.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.002 -0.544 . . . . 12.94 110.763 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.417 HG13 ' OH ' ' C' ' 78' ' ' TYR . 98.4 t -74.37 -22.74 17.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 15.380000000000001 110.9 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -64.52 -41.76 96.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.361 -0.382 . . . . 25.129999999999999 110.589 179.754 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -69.81 -43.13 72.69 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.193 -0.458 . . . . 27.829999999999998 110.646 179.722 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 73' ' ' THR . . . . . 0.909 ' CG2' HD13 ' D' ' 58' ' ' LEU . 90.9 m -54.76 -56.39 19.76 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.144 -0.48 . . . . 21.129999999999999 110.815 179.764 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 74' ' ' LEU . . . . . 0.607 ' HA ' HD12 ' B' ' 77' ' ' LEU . 10.0 mt -54.27 -41.03 68.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.291 -0.413 . . . . 21.16 110.696 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.72 -41.05 55.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 27.739999999999998 110.656 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.19 -26.11 39.37 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.987 -0.552 . . . . 30.550000000000001 110.707 179.808 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.607 HD12 ' HA ' ' B' ' 74' ' ' LEU . 27.9 mt -68.33 -36.2 78.93 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.067 -0.515 . . . . 30.300000000000001 110.936 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -81.72 -61.59 1.88 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 32.57 110.971 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 39.43 111.107 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.741 0.305 . . . . 35.299999999999997 111.134 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -65.9 -53.37 40.37 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.981 0.42 . . . . 30.43 110.658 179.784 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 57' ' ' ARG . . . . . . . . . . . . . 72.1 mtt-85 -62.37 -45.75 91.75 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.032 -0.531 . . . . 37.32 110.411 179.697 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 58' ' ' LEU . . . . . 0.461 ' HA ' HD23 ' C' ' 58' ' ' LEU . 13.1 mt -53.78 -49.04 69.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.841 -0.618 . . . . 28.030000000000001 110.72 179.771 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -52.39 -40.53 62.19 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.123 -0.49 . . . . 20.41 110.833 179.751 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -71.68 -27.79 63.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.494 . . . . 18.370000000000001 110.456 179.718 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -75.88 -51.58 12.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.03 -0.532 . . . . 20.649999999999999 110.68 179.808 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 62' ' ' GLN . . . . . 0.52 ' HB2' HD13 ' D' ' 74' ' ' LEU . 63.1 mm-40 -54.99 -46.44 75.15 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.924 -0.58 . . . . 23.809999999999999 110.61 179.809 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 63' ' ' SER . . . . . . . . . . . . . 19.6 p -61.91 -42.25 98.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.425 . . . . 17.940000000000001 110.453 179.685 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -52.94 -36.13 59.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 26.039999999999999 110.338 179.588 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 65' ' ' LEU . . . . . . . . . . . . . 3.6 mt -68.0 -41.28 82.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.027 -0.533 . . . . 18.510000000000002 110.4 179.616 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 66' ' ' VAL . . . . . . . . . . . . . 44.9 t -67.43 -41.38 86.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.109 -0.496 . . . . 14.82 110.608 179.549 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 67' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -63.7 -46.0 87.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.983 -0.553 . . . . 8.8200000000000003 110.497 179.668 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 68' ' ' LYS . . . . . . . . . . . . . 31.1 ttpt -58.79 -35.79 73.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 13.16 110.385 179.693 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 69' ' ' MET . . . . . . . . . . . . . 30.6 ttp -67.47 -39.5 85.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.035 -0.529 . . . . 8.0999999999999996 110.624 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 70' ' ' VAL . . . . . 0.477 HG21 HG21 ' D' ' 66' ' ' VAL . 93.0 t -71.46 -42.3 72.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.065 -0.516 . . . . 9.4499999999999993 110.98 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 71' ' ' PHE . . . . . 0.477 ' CZ ' ' HD3' ' C' ' 75' ' ' LYS . 59.4 t80 -51.81 -62.78 1.42 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.459 -0.337 . . . . 15.220000000000001 110.512 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -51.27 -43.23 61.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.279 -0.419 . . . . 13.109999999999999 110.641 179.786 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 73' ' ' THR . . . . . . . . . . . . . 20.7 m -66.75 -71.2 0.21 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 10.65 110.389 179.691 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 74' ' ' LEU . . . . . 0.487 ' HB3' ' CE2' ' C' ' 78' ' ' TYR . 15.6 mt -48.16 -36.16 13.02 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.076 -0.511 . . . . 13.050000000000001 111.04 179.822 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 75' ' ' LYS . . . . . 0.477 ' HD3' ' CZ ' ' C' ' 71' ' ' PHE . 0.1 OUTLIER -56.76 -66.32 0.46 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.185 -0.462 . . . . 14.449999999999999 110.2 179.507 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' C' C ' 76' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -65.0 -28.49 69.54 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.686 -0.688 . . . . 17.710000000000001 110.855 179.771 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 77' ' ' LEU . . . . . 0.615 ' O ' HD12 ' C' ' 77' ' ' LEU . 0.9 OUTLIER -66.77 -57.64 6.67 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.344 -0.389 . . . . 21.190000000000001 110.551 179.916 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' C' C ' 78' ' ' TYR . . . . . 0.487 ' CE2' ' HB3' ' C' ' 74' ' ' LEU . 22.2 m-85 -61.63 -25.54 67.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 25.870000000000001 110.68 179.83 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 11.7 mmtt -71.19 -29.85 65.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 25.870000000000001 110.617 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.25 -36.26 71.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 28.600000000000001 111.031 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 33.520000000000003 110.789 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.863 0.363 . . . . 33.119999999999997 110.803 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.08 -39.94 72.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.485 . . . . 29.829999999999998 111.089 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -68.9 -42.55 76.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.102 -0.499 . . . . 33.850000000000001 110.824 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 57' ' ' ARG . . . . . . . . . . . . . 11.0 mtm180 -62.91 -34.19 76.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.071 -0.513 . . . . 25.640000000000001 110.746 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 58' ' ' LEU . . . . . 0.909 HD13 ' CG2' ' B' ' 73' ' ' THR . 91.6 mt -70.93 -51.9 23.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.495 . . . . 22.379999999999999 110.749 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 59' ' ' ALA . . . . . . . . . . . . . . . -50.72 -31.57 16.97 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.836 -0.62 . . . . 20.379999999999999 111.119 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 60' ' ' ASP . . . . . 0.484 ' HA ' ' HG ' ' D' ' 63' ' ' SER . 63.2 t0 -81.46 -51.73 7.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.322 -0.399 . . . . 18.690000000000001 110.894 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 61' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -59.14 -41.54 88.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 12.16 110.828 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 62' ' ' GLN . . . . . 0.462 ' HB3' ' CD1' ' C' ' 74' ' ' LEU . 0.0 OUTLIER -73.25 -42.13 62.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.451 . . . . 10.779999999999999 111.156 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' D' D ' 63' ' ' SER . . . . . 0.484 ' HG ' ' HA ' ' D' ' 60' ' ' ASP . 96.0 p -65.62 -55.68 16.3 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.427 -0.352 . . . . 16.629999999999999 110.926 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 64' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -50.43 -36.82 34.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.307 -0.406 . . . . 18.41 110.768 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 65' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.16 -44.35 95.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.023 -0.535 . . . . 9.8000000000000007 110.511 179.673 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 66' ' ' VAL . . . . . 0.477 HG21 HG21 ' C' ' 70' ' ' VAL . 56.7 t -56.3 -32.43 35.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 8.5 110.769 179.716 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.04 -54.38 42.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.092 -0.504 . . . . 11.199999999999999 110.762 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 68' ' ' LYS . . . . . . . . . . . . . 6.3 tttt -57.84 -34.53 69.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.293 -0.412 . . . . 10.19 110.589 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 69' ' ' MET . . . . . . . . . . . . . 25.3 ttp -70.55 -49.97 42.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.037 -0.529 . . . . 11.029999999999999 110.772 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 70' ' ' VAL . . . . . 0.465 HG13 ' OH ' ' A' ' 78' ' ' TYR . 96.5 t -74.28 -22.73 18.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 10.66 110.983 179.813 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 87.5 t80 -64.5 -41.99 96.11 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.334 -0.394 . . . . 17.949999999999999 110.604 179.757 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -69.75 -42.97 73.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.025 -0.534 . . . . 23.379999999999999 110.595 179.739 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 73' ' ' THR . . . . . 0.926 ' CG2' HD13 ' B' ' 58' ' ' LEU . 89.6 m -54.76 -56.55 18.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 24.16 110.865 179.752 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 74' ' ' LEU . . . . . 0.602 ' HA ' HD12 ' D' ' 77' ' ' LEU . 9.9 mt -54.22 -40.85 68.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 27.190000000000001 110.755 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.94 -40.72 58.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 28.199999999999999 110.637 179.84 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 76' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.45 -25.98 38.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.022 -0.536 . . . . 28.149999999999999 110.726 179.69 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 77' ' ' LEU . . . . . 0.602 HD12 ' HA ' ' D' ' 74' ' ' LEU . 28.0 mt -68.56 -36.03 78.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.084 -0.507 . . . . 28.370000000000001 110.982 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 78' ' ' TYR . . . . . 0.415 ' OH ' HD13 ' C' ' 58' ' ' LEU . 20.1 m-85 -81.96 -61.42 1.92 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 34.030000000000001 110.987 -179.832 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.467 . . . . 42.460000000000001 111.147 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.845 0.355 . . . . 31.079999999999998 110.915 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -78.52 -50.79 10.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.467 . . . . 27.920000000000002 110.579 179.673 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.18 -45.05 94.42 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.901 -0.591 . . . . 28.57 110.464 179.628 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.435 ' HB3' ' CE2' ' B' ' 78' ' ' TYR . 27.9 mt -55.59 -53.28 58.4 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.731 -0.668 . . . . 30.859999999999999 110.721 179.769 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -49.76 -34.64 19.74 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.171 -0.468 . . . . 23.98 110.967 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -76.66 -29.03 56.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.093 -0.503 . . . . 24.609999999999999 110.676 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -74.36 -59.65 2.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.021 -0.536 . . . . 25.399999999999999 110.744 179.749 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.481 ' HB2' HD13 ' B' ' 74' ' ' LEU . 42.3 mm-40 -51.0 -45.62 61.22 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.99 -0.55 . . . . 18.129999999999999 110.786 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 26.0 p -60.71 -43.56 97.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.197 -0.456 . . . . 15.960000000000001 110.808 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.424 ' HA ' ' HG2' ' A' ' 67' ' ' LYS . 0.6 OUTLIER -57.27 -36.59 71.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.434 . . . . 17.010000000000002 110.714 179.88 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.437 HD12 ' HA ' ' A' ' 62' ' ' GLN . 23.6 mt -65.13 -36.63 84.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.429 . . . . 18.670000000000002 110.431 179.578 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 58.3 t -70.45 -42.65 78.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.006 -0.543 . . . . 10.050000000000001 110.934 179.782 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.432 ' HG3' ' N ' ' A' ' 68' ' ' LYS . 0.0 OUTLIER -63.99 -28.8 70.06 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.17 -0.468 . . . . 13.949999999999999 110.762 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.432 ' N ' ' HG3' ' A' ' 67' ' ' LYS . 0.0 OUTLIER -73.85 -42.88 60.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 22.440000000000001 110.292 179.506 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 46.9 ttp -64.75 -46.16 83.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.001 -0.545 . . . . 9.3699999999999992 110.121 179.353 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -66.98 -42.93 89.34 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 CA-C-N 116.072 -0.513 . . . . 7.3799999999999999 110.389 179.524 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.406 ' O ' ' HB2' ' A' ' 75' ' ' LYS . 61.4 t80 -47.41 -64.74 0.7 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.892 -0.595 . . . . 19.239999999999998 110.596 179.791 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 76.8 m-20 -51.14 -42.29 60.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.318 -0.401 . . . . 13.449999999999999 110.506 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 20.4 m -61.05 -66.5 0.52 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 9.9800000000000004 110.016 179.326 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.776 HD12 ' HB2' ' B' ' 62' ' ' GLN . 12.0 mt -54.32 -33.27 58.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.037 -0.529 . . . . 17.550000000000001 110.63 179.529 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.406 ' HB2' ' O ' ' A' ' 71' ' ' PHE . 0.5 OUTLIER -57.97 -61.11 2.78 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.923 -0.58 . . . . 20.18 110.302 179.672 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.88 -31.87 68.68 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.03 -0.532 . . . . 17.399999999999999 110.677 179.586 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.545 ' O ' HD12 ' A' ' 77' ' ' LEU . 3.3 tp -65.31 -46.13 81.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.035 -0.53 . . . . 19.760000000000002 110.536 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.431 ' OH ' HG13 ' D' ' 70' ' ' VAL . 21.4 m-30 -71.99 -24.65 61.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 26.809999999999999 110.629 179.479 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -74.79 -28.31 60.68 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.168 -0.469 . . . . 27.120000000000001 110.594 179.673 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 2.9 tptp -67.98 -35.67 78.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.061 -0.518 . . . . 31.23 110.911 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 9.1 p . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 34.630000000000003 110.847 179.979 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.878 0.371 . . . . 32.920000000000002 110.809 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -54.71 -40.28 69.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 31.140000000000001 111.086 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -68.55 -42.94 77.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 32.280000000000001 110.71 179.797 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 49.9 mtt180 -61.21 -37.33 82.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 22.98 110.655 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 58' ' ' LEU . . . . . 0.825 HD22 HG23 ' D' ' 73' ' ' THR . 16.6 mt -64.57 -61.35 2.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.03 -0.532 . . . . 18.84 110.705 179.789 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -45.4 -29.44 1.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.918 -0.583 . . . . 19.219999999999999 110.995 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -73.6 -39.01 64.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.989 -0.551 . . . . 25.420000000000002 110.395 179.633 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 61' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' B' ' 58' ' ' LEU . 31.5 mm-40 -70.6 -35.8 73.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 17.530000000000001 110.566 179.645 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 62' ' ' GLN . . . . . 0.918 ' O ' HG23 ' B' ' 66' ' ' VAL . 12.7 mm-40 -69.32 -38.57 78.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.027 -0.533 . . . . 13.949999999999999 110.554 179.736 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 63' ' ' SER . . . . . 0.409 ' HB2' ' HB2' ' A' ' 67' ' ' LYS . 0.1 OUTLIER -61.74 -62.09 2.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.086 -0.507 . . . . 13.06 110.68 179.881 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -49.7 -35.31 21.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 8.3499999999999996 110.694 179.742 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.07 -48.59 65.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.995 -0.548 . . . . 6.3399999999999999 110.549 179.74 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 66' ' ' VAL . . . . . 0.918 HG23 ' O ' ' B' ' 62' ' ' GLN . 21.9 t -64.13 -32.47 57.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.081 -0.509 . . . . 5.29 110.938 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 4.5 tttt -59.53 -59.9 4.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.069 -0.514 . . . . 11.1 110.871 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 1.2 tttp -54.02 -30.48 47.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.353 -0.385 . . . . 18.379999999999999 110.646 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 69' ' ' MET . . . . . 0.756 ' HE2' HG13 ' B' ' 66' ' ' VAL . 58.2 ttp -69.05 -52.04 32.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 12.92 110.639 179.799 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.486 HG13 ' OH ' ' C' ' 78' ' ' TYR . 62.9 t -75.73 -23.18 16.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.151 -0.477 . . . . 15.029999999999999 111.018 179.756 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -62.8 -44.79 95.22 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.181 -0.463 . . . . 23.870000000000001 110.51 179.726 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -67.91 -46.9 70.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.095 -0.502 . . . . 27.5 110.618 179.694 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 73' ' ' THR . . . . . 0.82 HG23 HD22 ' D' ' 58' ' ' LEU . 99.1 m -53.65 -47.93 69.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 23.27 110.672 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 74' ' ' LEU . . . . . 0.481 HD13 ' HB2' ' A' ' 62' ' ' GLN . 20.9 mt -62.43 -38.0 88.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.095 -0.502 . . . . 21.440000000000001 110.633 179.827 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -50.7 -42.37 56.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 25.66 110.688 179.779 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -78.93 -28.2 43.75 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.978 -0.555 . . . . 30.170000000000002 110.629 179.734 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.469 HD12 ' HA ' ' B' ' 74' ' ' LEU . 38.5 mt -66.53 -46.48 76.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.029 -0.532 . . . . 29.969999999999999 110.819 179.787 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 78' ' ' TYR . . . . . 0.435 ' CE2' ' HB3' ' A' ' 58' ' ' LEU . 13.6 m-85 -78.29 -25.58 46.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.111 -0.495 . . . . 31.170000000000002 110.937 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 40.469999999999999 110.858 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.111 0 CA-C-O 120.821 0.343 . . . . 33.729999999999997 110.891 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -78.51 -51.01 10.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 29.309999999999999 110.46 179.722 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.99 -44.96 94.18 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.964 -0.562 . . . . 36.740000000000002 110.458 179.688 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 58' ' ' LEU . . . . . 0.492 ' HB3' ' CE2' ' D' ' 78' ' ' TYR . 27.3 mt -55.69 -53.16 59.97 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.785 -0.643 . . . . 24.370000000000001 110.812 179.768 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -49.91 -34.66 21.05 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.121 -0.49 . . . . 20.030000000000001 111.025 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -76.49 -28.98 56.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.054 -0.521 . . . . 21.210000000000001 110.641 179.795 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -74.43 -59.77 2.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.085 -0.507 . . . . 23.280000000000001 110.721 179.802 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 62' ' ' GLN . . . . . 0.525 ' HB2' HD13 ' D' ' 74' ' ' LEU . 42.2 mm-40 -50.87 -45.45 59.93 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.95 -0.568 . . . . 25.0 110.852 179.775 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 63' ' ' SER . . . . . . . . . . . . . 26.1 p -60.81 -43.73 97.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 16.52 110.763 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 64' ' ' GLU . . . . . 0.424 ' HA ' ' HG2' ' C' ' 67' ' ' LYS . 0.6 OUTLIER -57.19 -36.58 71.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 24.449999999999999 110.653 179.919 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' C' C ' 65' ' ' LEU . . . . . 0.445 HD12 ' HA ' ' C' ' 62' ' ' GLN . 23.9 mt -65.27 -36.36 83.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.274 -0.421 . . . . 16.059999999999999 110.48 179.658 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 66' ' ' VAL . . . . . . . . . . . . . 57.5 t -70.7 -42.64 77.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.96 -0.564 . . . . 14.23 110.931 179.743 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 67' ' ' LYS . . . . . 0.434 ' HG3' ' N ' ' C' ' 68' ' ' LYS . 0.0 OUTLIER -63.81 -29.18 70.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.458 . . . . 14.890000000000001 110.749 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' C' C ' 68' ' ' LYS . . . . . 0.434 ' N ' ' HG3' ' C' ' 67' ' ' LYS . 0.0 OUTLIER -73.6 -42.96 60.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.495 . . . . 12.300000000000001 110.305 179.588 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' C' C ' 69' ' ' MET . . . . . . . . . . . . . 46.9 ttp -64.57 -46.31 83.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.027 -0.533 . . . . 7.6299999999999999 110.138 179.304 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -66.85 -43.13 89.81 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.28 0 CA-C-N 116.024 -0.534 . . . . 8.0299999999999994 110.401 179.468 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 71' ' ' PHE . . . . . 0.431 ' CE1' ' OD1' ' D' ' 60' ' ' ASP . 60.8 t80 -47.33 -64.75 0.7 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.954 -0.567 . . . . 8.5600000000000005 110.637 179.758 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -51.08 -42.37 60.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.398 -0.365 . . . . 11.33 110.561 179.738 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 73' ' ' THR . . . . . . . . . . . . . 20.5 m -60.89 -66.67 0.5 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.21 -0.45 . . . . 13.25 110.032 179.307 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 74' ' ' LEU . . . . . 0.789 HD12 ' HB2' ' D' ' 62' ' ' GLN . 12.2 mt -54.04 -33.42 57.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.983 -0.553 . . . . 14.77 110.647 179.456 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 75' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -57.85 -61.22 2.69 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.908 -0.587 . . . . 13.15 110.265 179.771 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 76' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.83 -31.82 68.66 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.952 -0.567 . . . . 16.27 110.719 179.573 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 77' ' ' LEU . . . . . 0.548 ' O ' HD12 ' C' ' 77' ' ' LEU . 3.3 tp -65.32 -46.28 80.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.038 -0.528 . . . . 21.170000000000002 110.524 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 78' ' ' TYR . . . . . 0.486 ' OH ' HG13 ' B' ' 70' ' ' VAL . 21.3 m-30 -71.88 -24.85 61.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 23.48 110.556 179.597 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -74.6 -28.37 60.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 30.719999999999999 110.587 179.669 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 2.9 tptp -67.99 -35.54 78.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.15 -0.477 . . . . 26.960000000000001 110.924 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 81' ' ' THR . . . . . . . . . . . . . 9.0 p . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 32.649999999999999 110.858 180.0 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 . . . . . 0 N--CA 1.458 -0.074 0 CA-C-O 120.903 0.382 . . . . 34.979999999999997 110.828 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' D' D ' 55' ' ' ALA . . . . . . . . . . . . . . . -54.59 -40.34 68.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.062 -0.517 . . . . 31.719999999999999 111.122 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -68.67 -42.71 77.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 32.789999999999999 110.724 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 57' ' ' ARG . . . . . . . . . . . . . 49.8 mtt180 -61.43 -37.22 82.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 32.270000000000003 110.631 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 58' ' ' LEU . . . . . 0.82 HD22 HG23 ' B' ' 73' ' ' THR . 16.5 mt -64.58 -61.47 2.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.054 -0.521 . . . . 22.460000000000001 110.657 179.781 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 59' ' ' ALA . . . . . . . . . . . . . . . -45.18 -29.46 0.95 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.867 -0.606 . . . . 18.920000000000002 111.072 179.765 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 60' ' ' ASP . . . . . 0.431 ' OD1' ' CE1' ' C' ' 71' ' ' PHE . 0.3 OUTLIER -73.45 -39.45 64.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.939 -0.573 . . . . 19.170000000000002 110.397 179.547 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' D' D ' 61' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' D' ' 58' ' ' LEU . 32.0 mm-40 -70.4 -35.63 73.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.064 -0.516 . . . . 11.91 110.527 179.651 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 62' ' ' GLN . . . . . 0.899 ' O ' HG23 ' D' ' 66' ' ' VAL . 12.6 mm-40 -69.25 -38.58 78.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 11.630000000000001 110.595 179.735 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 63' ' ' SER . . . . . 0.403 ' HB2' ' HB2' ' C' ' 67' ' ' LYS . 0.1 OUTLIER -61.81 -62.2 1.97 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.027 -0.533 . . . . 16.75 110.737 179.873 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' D' D ' 64' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -49.67 -35.19 20.67 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.166 -0.47 . . . . 18.350000000000001 110.706 179.742 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.22 -48.52 64.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.035 -0.53 . . . . 9.8300000000000001 110.567 179.703 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 66' ' ' VAL . . . . . 0.899 HG23 ' O ' ' D' ' 62' ' ' GLN . 22.0 t -64.11 -32.54 57.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 8.4499999999999993 111.002 179.785 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 67' ' ' LYS . . . . . . . . . . . . . 4.5 tttt -59.5 -59.79 4.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 17.829999999999998 110.877 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 68' ' ' LYS . . . . . . . . . . . . . 1.2 tttp -54.05 -30.4 47.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.36 -0.382 . . . . 10.41 110.658 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 69' ' ' MET . . . . . 0.729 ' HE2' HG13 ' D' ' 66' ' ' VAL . 58.2 ttp -68.97 -52.2 31.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 11.050000000000001 110.564 179.79 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 70' ' ' VAL . . . . . 0.431 HG13 ' OH ' ' A' ' 78' ' ' TYR . 59.5 t -75.63 -23.24 16.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.085 -0.507 . . . . 11.69 111.058 179.83 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -62.74 -44.7 95.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.223 -0.444 . . . . 18.550000000000001 110.545 179.731 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -68.02 -47.06 69.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.083 -0.508 . . . . 23.899999999999999 110.577 179.719 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 73' ' ' THR . . . . . 0.825 HG23 HD22 ' B' ' 58' ' ' LEU . 99.9 m -53.54 -47.86 69.6 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.152 -0.476 . . . . 21.780000000000001 110.775 179.806 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 74' ' ' LEU . . . . . 0.525 HD13 ' HB2' ' C' ' 62' ' ' GLN . 20.7 mt -62.44 -37.99 88.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 26.699999999999999 110.674 179.741 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 75' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -50.79 -42.32 57.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 29.800000000000001 110.688 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 76' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -78.77 -28.44 44.77 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.005 -0.543 . . . . 29.34 110.604 179.645 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 77' ' ' LEU . . . . . 0.47 HD12 ' HA ' ' D' ' 74' ' ' LEU . 38.4 mt -66.38 -46.5 76.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.941 -0.572 . . . . 28.379999999999999 110.817 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 78' ' ' TYR . . . . . 0.492 ' CE2' ' HB3' ' C' ' 58' ' ' LEU . 13.4 m-85 -78.25 -25.7 46.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.114 -0.494 . . . . 34.310000000000002 110.8 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 79' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 40.149999999999999 110.833 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.101 0 CA-C-O 120.919 0.39 . . . . 30.25 110.672 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -63.45 -56.49 15.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.992 -0.549 . . . . 26.390000000000001 110.427 179.662 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -65.16 -48.06 74.86 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.884 -0.598 . . . . 26.120000000000001 110.298 179.446 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.632 ' C ' HD13 ' A' ' 58' ' ' LEU . 1.7 tm? -53.59 -49.11 68.47 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.758 -0.656 . . . . 26.920000000000002 110.591 179.466 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.433 ' N ' HD13 ' A' ' 58' ' ' LEU . . . -55.52 -34.14 64.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.038 -0.528 . . . . 24.780000000000001 110.994 179.722 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -60.38 -45.31 93.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 26.02 110.715 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.45 -53.47 50.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 27.359999999999999 110.83 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 8.8 mp0 -54.01 -45.48 71.51 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.949 -0.568 . . . . 20.59 110.851 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 49.2 m -59.14 -38.13 78.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 16.32 110.778 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -60.18 -35.49 75.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 18.73 110.869 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 7.9 mt -67.7 -39.49 84.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 15.81 110.78 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 26.1 t -73.21 -44.68 55.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.074 -0.512 . . . . 10.300000000000001 111.319 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 71.4 tttt -60.65 -50.5 73.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.349 -0.387 . . . . 19.289999999999999 110.68 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 22.9 mtmt -55.9 -32.66 63.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 20.739999999999998 110.368 179.521 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 61.0 ttp -67.19 -41.95 85.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.945 -0.57 . . . . 7.7199999999999998 110.712 179.712 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.434 HG21 HG21 ' B' ' 66' ' ' VAL . 79.4 t -71.53 -44.35 70.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 4.3099999999999996 111.064 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.427 ' O ' ' CB ' ' A' ' 75' ' ' LYS . 19.6 t80 -50.88 -62.08 1.82 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.5 -0.318 . . . . 12.99 110.65 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -52.53 -42.93 64.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.477 -0.329 . . . . 7.8300000000000001 110.481 179.776 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 19.5 m -63.29 -71.44 0.17 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.96 0.41 . . . . 13.779999999999999 110.204 179.528 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.765 HD12 ' HB2' ' B' ' 62' ' ' GLN . 14.2 mt -50.33 -37.66 37.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.983 -0.553 . . . . 19.09 110.932 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.427 ' CB ' ' O ' ' A' ' 71' ' ' PHE . 37.0 ttpt -52.43 -67.71 0.23 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.945 -0.571 . . . . 19.43 110.398 179.62 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.89 -28.91 69.29 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.58 -0.736 . . . . 15.140000000000001 111.035 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.457 ' HB3' ' HA ' ' A' ' 74' ' ' LEU . 2.7 tp -66.8 -65.79 0.64 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.335 -0.393 . . . . 19.68 110.904 -179.813 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.553 ' CD1' HD11 ' D' ' 77' ' ' LEU . 18.9 m-30 -50.73 -31.72 17.45 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.445 -0.343 . . . . 25.640000000000001 110.907 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.33 -24.39 66.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.279 -0.419 . . . . 27.120000000000001 110.916 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.98 -47.15 78.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 29.789999999999999 111.064 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.457 ' OG1' HD22 ' D' ' 77' ' ' LEU . 49.0 p . . . . . 0 C--N 1.327 -0.406 0 CA-C-N 116.007 -0.542 . . . . 34.299999999999997 110.892 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 54' ' ' ASP . . . . . 0.404 ' O ' ' HG2' ' B' ' 57' ' ' ARG . 16.2 m-20 . . . . . 0 N--CA 1.457 -0.091 0 CA-C-O 120.839 0.352 . . . . 34.579999999999998 110.642 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -54.3 -39.8 67.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.073 -0.512 . . . . 33.310000000000002 111.013 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -63.79 -62.63 1.52 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 30.16 110.779 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 57' ' ' ARG . . . . . 0.423 ' HG3' ' N ' ' B' ' 58' ' ' LEU . 0.6 OUTLIER -51.0 -39.66 56.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.295 -0.412 . . . . 24.949999999999999 110.674 179.881 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 58' ' ' LEU . . . . . 0.763 HD22 HG23 ' D' ' 73' ' ' THR . 3.9 mt -59.98 -59.84 4.77 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.03 -0.532 . . . . 18.82 110.668 179.783 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -47.33 -35.3 7.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.89 -0.595 . . . . 17.609999999999999 110.979 179.796 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 62.6 t0 -60.77 -51.16 70.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.061 -0.518 . . . . 21.969999999999999 110.696 179.792 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -56.68 -35.64 68.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 15.77 110.512 179.643 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 62' ' ' GLN . . . . . 0.765 ' HB2' HD12 ' A' ' 74' ' ' LEU . 3.2 mm-40 -69.81 -53.17 19.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.97 -0.559 . . . . 14.890000000000001 110.625 179.667 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -52.08 -57.84 8.36 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.116 -0.493 . . . . 13.83 110.643 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -51.63 -34.02 35.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 11.77 110.57 179.662 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.48 -42.8 82.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.984 -0.553 . . . . 5.46 110.566 179.683 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 66' ' ' VAL . . . . . 0.635 HG23 ' O ' ' B' ' 62' ' ' GLN . 3.9 t -65.52 -42.55 93.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.068 -0.515 . . . . 7.3099999999999996 110.949 179.78 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 2.4 tttt -55.89 -55.92 26.82 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.037 -0.529 . . . . 19.239999999999998 110.784 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.36 -35.11 67.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 18.300000000000001 110.596 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 69' ' ' MET . . . . . 0.445 ' CE ' ' HB3' ' D' ' 62' ' ' GLN . 32.4 ttp -70.84 -49.69 43.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.981 -0.554 . . . . 12.68 110.805 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 82.2 t -74.18 -21.17 17.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.106 -0.497 . . . . 15.09 111.17 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 81.8 t80 -69.14 -45.18 70.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.385 -0.37 . . . . 24.379999999999999 110.693 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -65.15 -41.11 95.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.086 -0.507 . . . . 28.030000000000001 110.697 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 73' ' ' THR . . . . . 0.758 HG23 HD22 ' D' ' 58' ' ' LEU . 22.9 m -59.27 -46.64 87.98 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.193 -0.458 . . . . 20.219999999999999 110.771 179.81 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 74' ' ' LEU . . . . . 0.778 HD23 HD12 ' B' ' 77' ' ' LEU . 20.6 mt -59.19 -44.57 92.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 21.620000000000001 110.781 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 26.4 tttt -51.19 -42.79 61.11 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.298 -0.41 . . . . 28.559999999999999 110.549 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -74.83 -32.41 61.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.983 -0.553 . . . . 30.940000000000001 110.417 179.607 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.778 HD12 HD23 ' B' ' 74' ' ' LEU . 15.3 mt -61.37 -44.98 96.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.954 -0.566 . . . . 30.379999999999999 110.739 179.696 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 78' ' ' TYR . . . . . 0.497 ' CE2' HG22 ' C' ' 81' ' ' THR . 4.6 m-85 -79.62 -40.85 28.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.118 -0.492 . . . . 33.18 110.721 179.758 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 7.6 ttmt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 39.590000000000003 110.776 179.891 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.146 0 CA-C-O 120.899 0.381 . . . . 34.810000000000002 110.673 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -63.63 -56.35 16.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.053 -0.521 . . . . 29.890000000000001 110.371 179.616 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 57' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -65.27 -48.22 73.97 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.888 -0.596 . . . . 37.840000000000003 110.219 179.502 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 58' ' ' LEU . . . . . 0.629 ' C ' HD13 ' C' ' 58' ' ' LEU . 1.6 tm? -53.48 -48.98 68.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.761 -0.654 . . . . 28.850000000000001 110.549 179.551 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 59' ' ' ALA . . . . . 0.42 ' N ' HD13 ' C' ' 58' ' ' LEU . . . -55.72 -34.15 64.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.075 -0.511 . . . . 21.68 110.936 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -60.38 -45.23 94.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 18.239999999999998 110.749 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.41 -53.52 50.01 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.071 -0.513 . . . . 20.32 110.914 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 8.9 mp0 -53.9 -45.57 71.15 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.944 -0.571 . . . . 23.399999999999999 110.882 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 63' ' ' SER . . . . . . . . . . . . . 49.4 m -59.01 -38.32 78.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 17.809999999999999 110.765 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -60.04 -35.33 74.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.103 -0.499 . . . . 26.489999999999998 110.947 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 65' ' ' LEU . . . . . . . . . . . . . 7.7 mt -67.88 -39.69 83.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 19.469999999999999 110.701 179.767 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 66' ' ' VAL . . . . . . . . . . . . . 25.8 t -73.03 -44.83 56.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.136 -0.484 . . . . 14.890000000000001 111.188 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 67' ' ' LYS . . . . . 0.4 ' CG ' ' HB3' ' D' ' 63' ' ' SER . 71.5 tttt -60.58 -50.29 74.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.31 -0.405 . . . . 8.2899999999999991 110.729 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 68' ' ' LYS . . . . . . . . . . . . . 23.2 mtmt -56.07 -32.8 64.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.334 -0.393 . . . . 13.74 110.245 179.578 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 69' ' ' MET . . . . . . . . . . . . . 61.2 ttp -67.05 -41.99 85.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.978 -0.555 . . . . 8.3800000000000008 110.736 179.796 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 70' ' ' VAL . . . . . 0.426 HG21 HG21 ' D' ' 66' ' ' VAL . 77.0 t -71.55 -44.31 70.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.086 -0.506 . . . . 9.3599999999999994 110.989 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 71' ' ' PHE . . . . . 0.433 ' O ' ' CB ' ' C' ' 75' ' ' LYS . 19.8 t80 -50.89 -62.2 1.75 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.513 -0.312 . . . . 16.879999999999999 110.616 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 47.9 m-20 -52.39 -42.94 64.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.771 0.32 . . . . 15.0 110.497 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 73' ' ' THR . . . . . . . . . . . . . 20.0 m -63.52 -71.44 0.17 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.225 -0.443 . . . . 9.6999999999999993 110.208 179.531 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 74' ' ' LEU . . . . . 0.726 HD12 ' HB2' ' D' ' 62' ' ' GLN . 15.2 mt -50.3 -37.29 35.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.079 -0.51 . . . . 13.0 110.876 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 75' ' ' LYS . . . . . 0.433 ' CB ' ' O ' ' C' ' 71' ' ' PHE . 37.0 ttpt -52.84 -67.81 0.22 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.008 -0.542 . . . . 15.699999999999999 110.423 179.581 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 76' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.84 -28.8 69.25 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.598 -0.728 . . . . 18.440000000000001 111.11 179.787 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 77' ' ' LEU . . . . . 0.445 ' C ' HD12 ' C' ' 77' ' ' LEU . 2.7 tp -66.79 -65.8 0.64 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.456 -0.338 . . . . 21.32 110.879 -179.827 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 78' ' ' TYR . . . . . 0.637 ' CD1' HD11 ' B' ' 77' ' ' LEU . 19.2 m-30 -50.67 -31.93 17.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.9 0.381 . . . . 27.170000000000002 110.917 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.11 -24.5 66.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 24.440000000000001 110.886 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.88 -47.23 78.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 29.82 111.032 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 81' ' ' THR . . . . . 0.497 HG22 ' CE2' ' B' ' 78' ' ' TYR . 49.8 p . . . . . 0 C--N 1.327 -0.379 0 CA-C-N 116.027 -0.533 . . . . 33.420000000000002 110.875 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 54' ' ' ASP . . . . . 0.404 ' HA ' ' HG2' ' D' ' 57' ' ' ARG . 16.4 m-20 . . . . . 0 N--CA 1.457 -0.09 0 CA-C-O 120.841 0.353 . . . . 33.140000000000001 110.65 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 55' ' ' ALA . . . . . 0.418 ' HB1' ' HB2' ' C' ' 78' ' ' TYR . . . -54.35 -39.75 67.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.499 . . . . 29.379999999999999 111.076 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -63.78 -62.6 1.55 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.127 -0.488 . . . . 32.920000000000002 110.875 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 57' ' ' ARG . . . . . 0.426 ' HG3' ' N ' ' D' ' 58' ' ' LEU . 0.6 OUTLIER -50.99 -39.7 56.25 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.227 -0.442 . . . . 25.460000000000001 110.682 179.831 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' D' D ' 58' ' ' LEU . . . . . 0.758 HD22 HG23 ' B' ' 73' ' ' THR . 3.7 mt -60.02 -59.32 5.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.936 -0.574 . . . . 22.32 110.706 179.784 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 59' ' ' ALA . . . . . . . . . . . . . . . -47.71 -35.55 9.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.81 -0.632 . . . . 20.329999999999998 111.064 179.796 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 60' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -60.64 -50.99 71.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.972 -0.558 . . . . 19.93 110.684 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 61' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -56.82 -35.5 68.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.205 -0.452 . . . . 13.81 110.494 179.635 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 62' ' ' GLN . . . . . 0.726 ' HB2' HD12 ' C' ' 74' ' ' LEU . 3.2 mm-40 -69.98 -53.02 19.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.018 -0.537 . . . . 10.359999999999999 110.637 179.711 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 63' ' ' SER . . . . . 0.4 ' HB3' ' CG ' ' C' ' 67' ' ' LYS . 0.7 OUTLIER -51.97 -58.07 7.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 16.109999999999999 110.558 179.79 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' D' D ' 64' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -51.38 -33.94 32.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.114 -0.494 . . . . 15.85 110.673 179.652 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.78 -42.73 81.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.031 -0.532 . . . . 9.8300000000000001 110.53 179.718 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 66' ' ' VAL . . . . . 0.626 HG23 ' O ' ' D' ' 62' ' ' GLN . 4.0 t -65.49 -42.33 92.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 7.75 111.048 179.783 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 67' ' ' LYS . . . . . . . . . . . . . 2.4 tttt -55.98 -55.86 27.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.97 -0.559 . . . . 10.01 110.874 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.33 -35.31 67.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 10.109999999999999 110.664 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 69' ' ' MET . . . . . 0.438 ' CE ' ' HB3' ' B' ' 62' ' ' GLN . 33.4 ttp -70.64 -49.52 46.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.006 -0.543 . . . . 11.289999999999999 110.885 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 70' ' ' VAL . . . . . . . . . . . . . 81.4 t -74.28 -21.31 17.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.078 -0.51 . . . . 11.029999999999999 111.234 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -69.07 -45.1 71.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.307 -0.406 . . . . 17.75 110.675 179.782 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -65.16 -41.35 94.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 24.27 110.671 179.797 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 73' ' ' THR . . . . . 0.763 HG23 HD22 ' B' ' 58' ' ' LEU . 23.5 m -59.01 -46.65 87.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.455 . . . . 24.800000000000001 110.773 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 74' ' ' LEU . . . . . 0.783 HD23 HD12 ' D' ' 77' ' ' LEU . 20.8 mt -59.15 -44.74 92.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.107 -0.497 . . . . 26.850000000000001 110.741 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 75' ' ' LYS . . . . . . . . . . . . . 26.2 tttt -51.05 -42.88 60.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.309 -0.405 . . . . 27.359999999999999 110.511 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 76' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -74.72 -32.56 62.17 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.983 -0.553 . . . . 28.0 110.396 179.617 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 77' ' ' LEU . . . . . 0.783 HD12 HD23 ' D' ' 74' ' ' LEU . 15.1 mt -61.19 -45.07 96.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.936 -0.575 . . . . 28.899999999999999 110.669 179.756 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 78' ' ' TYR . . . . . 0.446 ' CE2' HG22 ' A' ' 81' ' ' THR . 4.6 m-85 -79.66 -40.78 28.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.046 -0.525 . . . . 33.719999999999999 110.732 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 79' ' ' LYS . . . . . . . . . . . . . 7.6 ttmt . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.114 -0.494 . . . . 44.659999999999997 110.806 179.873 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.17 0 CA-C-O 120.861 0.362 . . . . 34.119999999999997 110.921 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -62.82 -53.87 47.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.429 . . . . 29.649999999999999 110.373 179.64 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 2.8 tpp180 -67.89 -45.02 75.62 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.884 -0.598 . . . . 35.780000000000001 110.252 179.443 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.638 ' C ' HD13 ' A' ' 58' ' ' LEU . 2.4 tm? -58.14 -42.97 87.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.828 -0.624 . . . . 25.359999999999999 110.903 179.653 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.79 -35.28 79.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 20.469999999999999 111.281 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -61.77 -39.51 91.91 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.251 -0.431 . . . . 20.460000000000001 110.934 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -65.83 -54.0 32.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 22.0 110.991 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.556 ' O ' HG23 ' A' ' 66' ' ' VAL . 79.4 mm-40 -51.63 -42.78 62.27 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.022 -0.535 . . . . 24.43 110.964 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 68.5 p -70.22 -33.14 71.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 17.079999999999998 110.876 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -63.28 -51.96 63.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 24.850000000000001 110.73 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 8.6 mt -53.72 -46.43 70.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.086 -0.507 . . . . 17.27 110.566 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.556 HG23 ' O ' ' A' ' 62' ' ' GLN . 48.2 t -59.7 -48.3 88.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 14.800000000000001 110.644 179.481 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.465 ' HG3' ' CB ' ' B' ' 63' ' ' SER . 23.6 tttt -56.66 -41.27 76.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.846 -0.616 . . . . 12.32 110.612 179.74 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.43 -42.99 98.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 12.380000000000001 110.524 179.592 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 53.8 ttp -60.61 -39.5 88.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.025 -0.534 . . . . 7.6200000000000001 110.638 179.656 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 60.5 t -70.71 -45.25 74.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.485 . . . . 9.0800000000000001 110.714 179.756 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.433 ' O ' ' CB ' ' A' ' 75' ' ' LYS . 46.4 t80 -51.62 -61.0 2.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.496 -0.32 . . . . 10.9 110.468 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 36.3 m-20 -52.45 -40.62 62.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.375 -0.375 . . . . 11.01 110.385 179.672 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.1 m -65.68 -72.38 0.16 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 12.199999999999999 110.22 179.408 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.774 HD12 ' HB2' ' B' ' 62' ' ' GLN . 13.1 mt -50.11 -35.32 25.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 13.960000000000001 110.904 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.433 ' CB ' ' O ' ' A' ' 71' ' ' PHE . 13.4 ttpt -53.62 -67.48 0.25 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.117 -0.492 . . . . 12.949999999999999 110.198 179.491 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -63.81 -33.21 75.17 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.635 -0.711 . . . . 16.5 110.788 179.794 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.632 ' C ' HD12 ' A' ' 77' ' ' LEU . 0.6 OUTLIER -63.36 -63.94 1.04 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.465 -0.334 . . . . 20.920000000000002 110.512 179.916 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.513 ' HE1' HG13 ' D' ' 70' ' ' VAL . 16.7 m-30 -53.34 -27.05 21.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.881 0.372 . . . . 24.52 110.591 179.584 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 9.7 mttt -63.37 -36.11 82.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.101 -0.5 . . . . 25.280000000000001 110.443 179.691 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.16 -27.05 66.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.959 -0.564 . . . . 27.390000000000001 110.779 179.794 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.442 HG22 ' CE1' ' D' ' 78' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.013 -0.54 . . . . 33.530000000000001 110.824 179.837 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.772 0.32 . . . . 34.829999999999998 111.058 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.03 -51.59 69.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.37 -0.377 . . . . 31.489999999999998 110.946 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.97 -47.75 83.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.272 -0.422 . . . . 32.700000000000003 110.387 179.545 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 57' ' ' ARG . . . . . 0.405 ' O ' ' HB3' ' B' ' 60' ' ' ASP . 20.7 tpp180 -59.44 -40.21 86.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.041 -0.527 . . . . 30.129999999999999 110.238 179.387 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 58' ' ' LEU . . . . . 0.799 HD22 HG23 ' D' ' 73' ' ' THR . 3.2 mt -58.22 -61.98 2.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.744 -0.662 . . . . 23.23 110.459 179.439 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -45.68 -29.31 1.22 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.696 -0.683 . . . . 19.68 111.183 179.651 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 60' ' ' ASP . . . . . 0.405 ' HB3' ' O ' ' B' ' 57' ' ' ARG . 24.1 t0 -61.82 -53.72 52.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.023 -0.535 . . . . 17.52 110.665 179.83 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 61' ' ' GLU . . . . . 0.411 ' HG3' ' N ' ' B' ' 62' ' ' GLN . 1.6 pt-20 -60.13 -28.91 68.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 11.65 110.707 179.774 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 62' ' ' GLN . . . . . 0.774 ' HB2' HD12 ' A' ' 74' ' ' LEU . 15.3 mm-40 -72.21 -48.43 43.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.924 0.392 . . . . 11.49 110.761 179.736 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 63' ' ' SER . . . . . 0.465 ' CB ' ' HG3' ' A' ' 67' ' ' LYS . 0.8 OUTLIER -57.12 -56.19 24.96 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.136 -0.484 . . . . 17.059999999999999 110.859 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 64' ' ' GLU . . . . . 0.432 ' HG3' ' N ' ' B' ' 65' ' ' LEU . 7.9 pt-20 -50.9 -35.57 33.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 17.489999999999998 110.78 179.8 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 65' ' ' LEU . . . . . 0.432 ' N ' ' HG3' ' B' ' 64' ' ' GLU . 0.1 OUTLIER -66.26 -38.29 87.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.49 . . . . 10.02 110.883 179.832 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 66' ' ' VAL . . . . . 0.543 HG23 ' O ' ' B' ' 62' ' ' GLN . 24.3 t -69.18 -37.28 76.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.242 -0.435 . . . . 8.8499999999999996 111.222 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 10.7 tttt -59.44 -58.88 6.65 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.205 -0.452 . . . . 16.27 111.017 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 45.4 tttt -54.76 -31.02 58.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.336 -0.393 . . . . 10.15 110.752 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 69' ' ' MET . . . . . . . . . . . . . 47.8 ttp -69.08 -51.42 38.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.481 . . . . 11.029999999999999 110.762 179.781 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.45 HG13 ' HE1' ' C' ' 78' ' ' TYR . 60.2 t -77.23 -20.3 14.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 11.34 111.019 179.757 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -64.4 -52.73 56.72 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.369 -0.378 . . . . 18.469999999999999 110.749 179.753 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 42.4 t0 -65.44 -40.24 93.04 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.13 -0.486 . . . . 24.530000000000001 110.706 179.728 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 73' ' ' THR . . . . . 0.814 HG23 HD22 ' D' ' 58' ' ' LEU . 16.2 m -53.42 -60.22 3.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 23.359999999999999 110.828 179.686 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 74' ' ' LEU . . . . . 0.603 ' HA ' HD12 ' B' ' 77' ' ' LEU . 28.7 mt -50.78 -39.04 51.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.119 -0.491 . . . . 27.640000000000001 110.949 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.28 -47.13 55.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 29.859999999999999 110.749 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -73.33 -26.8 61.19 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.993 -0.548 . . . . 29.690000000000001 110.604 179.724 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.603 HD12 ' HA ' ' B' ' 74' ' ' LEU . 20.3 mt -66.83 -42.47 85.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.048 -0.524 . . . . 29.359999999999999 110.762 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 78' ' ' TYR . . . . . 0.614 ' CE1' HD12 ' A' ' 58' ' ' LEU . 9.2 m-85 -82.52 -36.13 26.66 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.077 -0.511 . . . . 35.490000000000002 110.94 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 3.8 tttp . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 43.5 110.849 179.992 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.849 0.357 . . . . 31.27 110.889 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -62.8 -53.94 46.63 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.014 0.435 . . . . 27.73 110.435 179.64 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 57' ' ' ARG . . . . . . . . . . . . . 2.8 tpp180 -67.66 -45.03 76.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.905 -0.589 . . . . 29.030000000000001 110.318 179.404 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 58' ' ' LEU . . . . . 0.618 ' C ' HD13 ' C' ' 58' ' ' LEU . 2.4 tm? -58.18 -43.16 87.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.716 -0.675 . . . . 29.75 110.891 179.658 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.46 -35.48 79.46 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.222 -0.444 . . . . 25.280000000000001 111.225 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -61.56 -39.45 91.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.248 -0.433 . . . . 26.809999999999999 110.94 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -66.04 -53.86 33.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 26.809999999999999 110.948 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 62' ' ' GLN . . . . . 0.564 ' O ' HG23 ' C' ' 66' ' ' VAL . 79.7 mm-40 -51.73 -42.73 62.5 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.065 -0.516 . . . . 18.91 110.911 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 63' ' ' SER . . . . . . . . . . . . . 68.0 p -70.37 -33.18 71.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 16.199999999999999 110.781 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -63.26 -52.02 63.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.292 -0.413 . . . . 18.199999999999999 110.741 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 65' ' ' LEU . . . . . . . . . . . . . 8.6 mt -53.66 -46.21 70.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 18.109999999999999 110.631 179.792 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 66' ' ' VAL . . . . . 0.564 HG23 ' O ' ' C' ' 62' ' ' GLN . 48.4 t -59.83 -48.34 88.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.01 0.433 . . . . 10.140000000000001 110.692 179.486 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 67' ' ' LYS . . . . . 0.455 ' HG3' ' CB ' ' D' ' 63' ' ' SER . 23.7 tttt -56.92 -41.07 77.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.901 -0.59 . . . . 16.079999999999998 110.559 179.798 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.54 -42.76 98.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 22.579999999999998 110.485 179.612 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 69' ' ' MET . . . . . . . . . . . . . 53.9 ttp -60.81 -39.65 89.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.094 -0.503 . . . . 9.0600000000000005 110.486 179.694 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 59.7 t -70.61 -45.17 75.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.095 -0.502 . . . . 7.0199999999999996 110.761 179.789 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 71' ' ' PHE . . . . . 0.432 ' O ' ' CB ' ' C' ' 75' ' ' LYS . 46.4 t80 -51.64 -61.03 2.5 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.484 -0.326 . . . . 18.390000000000001 110.494 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -52.51 -40.64 62.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.293 -0.412 . . . . 12.57 110.324 179.677 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 73' ' ' THR . . . . . . . . . . . . . 17.7 m -65.62 -72.49 0.15 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 11.109999999999999 110.172 179.455 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 74' ' ' LEU . . . . . 0.763 HD12 ' HB2' ' D' ' 62' ' ' GLN . 13.7 mt -50.13 -35.4 25.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.064 -0.517 . . . . 18.420000000000002 110.889 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 75' ' ' LYS . . . . . 0.432 ' CB ' ' O ' ' C' ' 71' ' ' PHE . 13.4 ttpt -53.48 -67.93 0.22 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.121 -0.491 . . . . 19.899999999999999 110.122 179.406 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 76' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -63.24 -33.11 74.78 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.716 -0.674 . . . . 17.16 110.958 179.705 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 77' ' ' LEU . . . . . 0.637 ' C ' HD12 ' C' ' 77' ' ' LEU . 0.6 OUTLIER -63.5 -64.06 1.01 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.345 -0.389 . . . . 19.870000000000001 110.533 179.89 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' C' C ' 78' ' ' TYR . . . . . 0.45 ' HE1' HG13 ' B' ' 70' ' ' VAL . 16.8 m-30 -53.32 -27.03 21.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.88 0.371 . . . . 26.73 110.552 179.616 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 9.7 mttt -63.37 -36.26 83.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 28.0 110.442 179.648 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.97 -27.22 67.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.005 -0.543 . . . . 31.91 110.668 179.737 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 81' ' ' THR . . . . . 0.432 HG22 ' CE1' ' B' ' 78' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 35.640000000000001 110.818 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.8 0.333 . . . . 32.759999999999998 111.014 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' D' D ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.91 -51.64 68.84 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.355 -0.384 . . . . 31.649999999999999 110.931 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.16 -47.55 84.05 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.27 -0.423 . . . . 30.66 110.433 179.585 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 57' ' ' ARG . . . . . 0.407 ' O ' ' HB3' ' D' ' 60' ' ' ASP . 20.7 tpp180 -59.73 -39.96 86.48 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.131 -0.486 . . . . 23.030000000000001 110.195 179.447 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 58' ' ' LEU . . . . . 0.814 HD22 HG23 ' B' ' 73' ' ' THR . 3.2 mt -58.41 -61.71 2.38 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.772 -0.649 . . . . 18.48 110.38 179.484 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 59' ' ' ALA . . . . . . . . . . . . . . . -45.89 -29.38 1.37 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.662 -0.699 . . . . 18.460000000000001 111.217 179.722 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 60' ' ' ASP . . . . . 0.407 ' HB3' ' O ' ' D' ' 57' ' ' ARG . 24.8 t0 -62.03 -53.35 56.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.92 -0.582 . . . . 23.609999999999999 110.714 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 61' ' ' GLU . . . . . 0.408 ' HG3' ' N ' ' D' ' 62' ' ' GLN . 1.6 pt-20 -60.26 -28.81 68.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.277 -0.42 . . . . 16.5 110.712 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 62' ' ' GLN . . . . . 0.763 ' HB2' HD12 ' C' ' 74' ' ' LEU . 15.4 mm-40 -72.48 -48.36 41.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 14.59 110.817 179.749 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 63' ' ' SER . . . . . 0.455 ' CB ' ' HG3' ' C' ' 67' ' ' LYS . 0.8 OUTLIER -56.96 -56.07 26.42 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.203 -0.453 . . . . 12.82 110.769 -179.941 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' D' D ' 64' ' ' GLU . . . . . 0.429 ' HG3' ' N ' ' D' ' 65' ' ' LEU . 7.9 pt-20 -50.97 -35.27 32.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 7.71 110.786 179.732 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 65' ' ' LEU . . . . . 0.429 ' N ' ' HG3' ' D' ' 64' ' ' GLU . 0.1 OUTLIER -66.7 -38.32 86.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.067 -0.515 . . . . 5.5999999999999996 110.855 179.921 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' D' D ' 66' ' ' VAL . . . . . 0.538 HG23 ' O ' ' D' ' 62' ' ' GLN . 23.5 t -68.94 -37.55 77.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.249 -0.432 . . . . 5.8200000000000003 111.211 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 67' ' ' LYS . . . . . . . . . . . . . 10.7 tttt -59.23 -59.15 5.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 14.119999999999999 110.899 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 68' ' ' LYS . . . . . . . . . . . . . 45.7 tttt -54.62 -31.03 56.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.376 -0.375 . . . . 17.640000000000001 110.745 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 69' ' ' MET . . . . . . . . . . . . . 48.3 ttp -69.15 -51.28 39.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 12.970000000000001 110.747 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 70' ' ' VAL . . . . . 0.513 HG13 ' HE1' ' A' ' 78' ' ' TYR . 61.5 t -77.57 -19.86 14.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 15.35 111.131 179.74 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -64.6 -52.78 55.7 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.928 0.394 . . . . 24.649999999999999 110.615 179.671 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -65.3 -40.33 93.65 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.061 -0.518 . . . . 28.43 110.684 179.723 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 73' ' ' THR . . . . . 0.799 HG23 HD22 ' B' ' 58' ' ' LEU . 15.6 m -53.53 -60.32 3.46 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.159 -0.473 . . . . 22.719999999999999 110.717 179.811 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 74' ' ' LEU . . . . . 0.603 ' HA ' HD12 ' D' ' 77' ' ' LEU . 32.2 mt -50.52 -39.12 47.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.081 -0.509 . . . . 21.109999999999999 110.876 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.31 -47.17 55.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 26.219999999999999 110.755 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 76' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -73.34 -26.89 61.22 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.011 -0.541 . . . . 30.129999999999999 110.614 179.764 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 77' ' ' LEU . . . . . 0.603 HD12 ' HA ' ' D' ' 74' ' ' LEU . 20.6 mt -66.74 -42.41 86.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.073 -0.512 . . . . 30.440000000000001 110.753 179.834 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 78' ' ' TYR . . . . . 0.559 ' CE1' HD12 ' C' ' 58' ' ' LEU . 9.0 m-85 -82.62 -36.14 26.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.103 -0.498 . . . . 31.949999999999999 110.952 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 79' ' ' LYS . . . . . . . . . . . . . 3.7 tttp . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 42.159999999999997 110.835 179.927 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.471 ' HB1' ' HB3' ' B' ' 78' ' ' TYR . . . . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.778 0.323 . . . . 31.84 110.894 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -67.49 -56.99 7.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.284 -0.416 . . . . 27.34 110.545 179.776 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 4.6 mtt-85 -58.68 -45.21 89.94 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.954 -0.566 . . . . 28.829999999999998 110.362 179.623 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.41 ' HA ' HD23 ' A' ' 58' ' ' LEU . 13.1 mt -54.45 -52.84 60.54 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.827 -0.624 . . . . 31.140000000000001 110.465 179.698 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.5 -36.72 45.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.495 . . . . 24.629999999999999 110.701 179.722 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -73.2 -30.97 63.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.994 -0.548 . . . . 25.280000000000001 110.546 179.644 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -74.35 -45.41 47.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.052 -0.522 . . . . 26.129999999999999 110.627 179.771 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 58.3 mm-40 -57.3 -47.81 80.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.01 -0.541 . . . . 18.329999999999998 110.619 179.663 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 12.1 p -58.89 -40.01 83.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.053 -0.522 . . . . 16.100000000000001 110.644 179.788 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.414 ' O ' ' HG2' ' A' ' 67' ' ' LYS . 0.0 OUTLIER -58.42 -27.93 64.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.481 . . . . 17.460000000000001 110.568 179.775 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 71.0 mt -77.87 -34.53 51.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.148 -0.478 . . . . 18.699999999999999 110.061 179.437 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 87.1 t -76.57 -43.78 34.76 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 CA-C-N 115.899 -0.591 . . . . 10.08 110.627 179.366 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.414 ' HG2' ' O ' ' A' ' 64' ' ' GLU . 20.2 ptmt -59.41 -42.81 92.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.073 -0.512 . . . . 13.970000000000001 110.541 179.777 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -63.27 -38.68 92.09 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.122 -0.49 . . . . 21.559999999999999 110.218 179.568 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.656 ' HE2' HG21 ' C' ' 73' ' ' THR . 57.6 ttp -64.54 -43.2 94.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.961 -0.563 . . . . 9.1699999999999999 110.423 179.667 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 62.1 t -70.17 -41.97 79.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.1 -0.5 . . . . 7.6100000000000003 110.641 179.632 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.413 ' O ' ' HB2' ' A' ' 75' ' ' LYS . 14.3 t80 -52.58 -63.98 0.97 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.368 -0.378 . . . . 19.399999999999999 110.43 179.743 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -51.05 -42.68 60.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.336 -0.393 . . . . 12.710000000000001 110.564 179.829 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.669 HG21 ' HE2' ' C' ' 69' ' ' MET . 18.6 m -64.16 -71.06 0.19 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.384 -0.371 . . . . 10.26 110.267 179.603 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.696 HD12 ' HB2' ' B' ' 62' ' ' GLN . 19.1 mt -50.82 -33.93 25.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.081 -0.508 . . . . 17.84 110.882 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.413 ' HB2' ' O ' ' A' ' 71' ' ' PHE . 3.7 ttpt -56.83 -65.53 0.6 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.037 -0.529 . . . . 19.98 110.185 179.441 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.61 -31.24 71.8 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.596 -0.729 . . . . 17.510000000000002 110.964 179.782 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.708 ' O ' HD12 ' A' ' 77' ' ' LEU . 0.8 OUTLIER -61.96 -53.92 48.93 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.363 -0.381 . . . . 19.809999999999999 110.752 -179.871 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.504 ' OH ' HG13 ' D' ' 70' ' ' VAL . 22.9 m-85 -65.46 -22.21 66.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.375 -0.375 . . . . 26.829999999999998 110.828 179.752 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 3.3 mttt -74.17 -32.74 63.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.278 -0.419 . . . . 27.309999999999999 110.573 179.76 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.04 -29.65 68.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 31.07 110.957 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 34.159999999999997 111.004 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 1.9 p30 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.889 0.376 . . . . 32.390000000000001 110.962 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 55' ' ' ALA . . . . . 0.488 ' HB1' ' HB2' ' A' ' 78' ' ' TYR . . . -57.23 -45.94 83.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.301 -0.409 . . . . 30.670000000000002 111.114 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -61.01 -44.01 98.05 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.242 -0.436 . . . . 30.91 110.767 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 2.3 mtt-85 -62.8 -33.08 74.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 22.32 110.793 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 58' ' ' LEU . . . . . 0.675 HD22 HG23 ' D' ' 73' ' ' THR . 26.4 mt -71.51 -61.02 1.93 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 18.219999999999999 110.68 179.731 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -47.06 -30.31 2.64 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.873 -0.603 . . . . 18.789999999999999 111.2 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -69.02 -58.58 3.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.066 -0.516 . . . . 24.760000000000002 110.806 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 61' ' ' GLU . . . . . 0.439 ' HA ' ' CG ' ' B' ' 64' ' ' GLU . 2.1 mm-40 -58.26 -29.98 66.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 16.73 110.691 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 62' ' ' GLN . . . . . 0.696 ' HB2' HD12 ' A' ' 74' ' ' LEU . 2.1 mm-40 -71.93 -38.63 69.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.96 -0.564 . . . . 14.279999999999999 110.773 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -69.76 -57.26 5.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.118 -0.492 . . . . 12.85 110.793 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 64' ' ' GLU . . . . . 0.439 ' CG ' ' HA ' ' B' ' 61' ' ' GLU . 0.0 OUTLIER -50.84 -30.27 13.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.332 -0.395 . . . . 7.9500000000000002 110.564 179.717 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.21 -49.91 57.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.949 -0.568 . . . . 6.3399999999999999 110.526 179.638 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 66' ' ' VAL . . . . . 0.588 HG23 ' O ' ' B' ' 62' ' ' GLN . 38.2 t -57.54 -31.86 40.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 5.1600000000000001 110.918 179.682 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 67' ' ' LYS . . . . . 0.417 ' O ' ' N ' ' B' ' 71' ' ' PHE . 0.1 OUTLIER -60.87 -53.32 58.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.002 -0.544 . . . . 10.01 111.158 -179.876 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 22.1 tttt -58.96 -34.28 71.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.395 -0.366 . . . . 17.829999999999998 111.086 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 69' ' ' MET . . . . . . . . . . . . . 35.2 ttp -73.36 -45.2 56.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 13.25 111.103 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.617 HG13 ' OH ' ' C' ' 78' ' ' TYR . 95.0 t -79.72 -21.54 12.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.304 -0.407 . . . . 15.300000000000001 111.227 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.417 ' N ' ' O ' ' B' ' 67' ' ' LYS . 60.7 t80 -68.94 -39.7 79.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.369 -0.378 . . . . 24.129999999999999 110.632 179.774 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -70.84 -50.01 40.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 28.399999999999999 110.564 179.746 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 73' ' ' THR . . . . . 0.692 HG23 HD22 ' D' ' 58' ' ' LEU . 98.3 m -52.84 -43.27 65.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.052 -0.522 . . . . 23.43 110.736 179.741 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 71.6 mt -63.89 -36.62 84.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.084 -0.507 . . . . 21.510000000000002 110.689 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -51.83 -44.41 63.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 25.84 110.685 179.842 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 74.7 m-20 -75.71 -36.39 60.01 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.989 -0.551 . . . . 30.850000000000001 110.647 179.734 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.432 ' CD1' ' CD1' ' C' ' 78' ' ' TYR . 17.4 mt -57.77 -42.05 83.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.007 -0.542 . . . . 29.98 110.636 179.717 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 78' ' ' TYR . . . . . 0.471 ' HB3' ' HB1' ' A' ' 55' ' ' ALA . 4.4 m-85 -82.24 -33.09 29.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.025 -0.534 . . . . 31.34 110.893 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 6.0 ttmt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 41.75 110.811 -179.96 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' C' C ' 55' ' ' ALA . . . . . 0.634 ' HB1' ' HB3' ' D' ' 78' ' ' TYR . . . . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.84 0.352 . . . . 34.880000000000003 110.935 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -67.5 -56.97 7.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.451 . . . . 30.370000000000001 110.593 179.782 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 57' ' ' ARG . . . . . . . . . . . . . 4.7 mtt-85 -58.7 -45.16 90.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.903 -0.59 . . . . 34.810000000000002 110.402 179.62 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 13.2 mt -54.32 -53.02 59.53 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.869 -0.605 . . . . 25.300000000000001 110.486 179.644 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.34 -36.83 44.73 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.017 -0.538 . . . . 20.859999999999999 110.668 179.675 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -73.15 -31.07 64.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.042 -0.527 . . . . 22.059999999999999 110.562 179.701 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -74.18 -45.56 47.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.047 -0.524 . . . . 23.539999999999999 110.67 179.718 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 62' ' ' GLN . . . . . 0.403 ' HB2' HD13 ' D' ' 74' ' ' LEU . 58.5 mm-40 -57.22 -47.88 80.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.932 -0.576 . . . . 25.050000000000001 110.516 179.733 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 63' ' ' SER . . . . . . . . . . . . . 12.1 p -58.69 -40.15 82.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.079 -0.51 . . . . 16.879999999999999 110.612 179.78 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 64' ' ' GLU . . . . . 0.412 ' O ' ' HG2' ' C' ' 67' ' ' LYS . 0.0 OUTLIER -58.35 -28.03 64.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.469 . . . . 24.949999999999999 110.597 179.836 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' C' C ' 65' ' ' LEU . . . . . . . . . . . . . 72.4 mt -77.75 -34.64 52.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.09 -0.504 . . . . 16.530000000000001 110.083 179.48 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 66' ' ' VAL . . . . . . . . . . . . . 91.0 t -76.55 -43.91 34.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.846 -0.616 . . . . 14.42 110.633 179.438 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 67' ' ' LYS . . . . . 0.412 ' HG2' ' O ' ' C' ' 64' ' ' GLU . 20.2 ptmt -59.25 -42.98 92.39 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.975 -0.557 . . . . 14.83 110.527 179.694 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 68' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -63.09 -38.58 91.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 13.619999999999999 110.285 179.54 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 69' ' ' MET . . . . . 0.669 ' HE2' HG21 ' A' ' 73' ' ' THR . 57.7 ttp -64.64 -43.28 94.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.003 -0.544 . . . . 7.1699999999999999 110.446 179.649 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 59.7 t -70.19 -42.08 78.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.016 -0.538 . . . . 8.6699999999999999 110.578 179.678 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 71' ' ' PHE . . . . . 0.407 ' O ' ' HB2' ' C' ' 75' ' ' LYS . 14.3 t80 -52.28 -64.1 0.92 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.422 -0.354 . . . . 8.8300000000000001 110.388 179.679 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -51.12 -42.31 60.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.325 -0.398 . . . . 11.119999999999999 110.633 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 73' ' ' THR . . . . . 0.656 HG21 ' HE2' ' A' ' 69' ' ' MET . 18.6 m -64.38 -70.93 0.2 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.327 -0.397 . . . . 13.130000000000001 110.279 179.579 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 74' ' ' LEU . . . . . 0.711 HD12 ' HB2' ' D' ' 62' ' ' GLN . 20.0 mt -50.77 -34.27 26.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.085 -0.507 . . . . 14.81 110.932 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 75' ' ' LYS . . . . . 0.407 ' HB2' ' O ' ' C' ' 71' ' ' PHE . 3.7 ttpt -56.64 -65.55 0.59 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.977 -0.556 . . . . 13.19 110.227 179.499 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 76' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.64 -31.26 71.83 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.675 -0.693 . . . . 16.359999999999999 110.966 179.709 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 77' ' ' LEU . . . . . 0.725 ' O ' HD12 ' C' ' 77' ' ' LEU . 0.7 OUTLIER -61.92 -53.97 48.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.404 -0.362 . . . . 21.18 110.718 -179.884 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' C' C ' 78' ' ' TYR . . . . . 0.617 ' OH ' HG13 ' B' ' 70' ' ' VAL . 22.7 m-85 -65.35 -22.37 66.8 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.418 -0.355 . . . . 23.760000000000002 110.865 179.7 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 3.4 mttt -74.16 -32.43 63.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.309 -0.405 . . . . 28.760000000000002 110.648 179.719 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.22 -29.57 68.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 26.870000000000001 110.995 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 81' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.128 -0.487 . . . . 33.189999999999998 110.951 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 1.9 p30 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.737 0.303 . . . . 34.859999999999999 110.958 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' D' D ' 55' ' ' ALA . . . . . 0.52 ' HB1' ' HB2' ' C' ' 78' ' ' TYR . . . -57.4 -46.03 83.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.292 -0.413 . . . . 31.489999999999998 111.02 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -60.89 -43.86 97.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 32.020000000000003 110.815 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 57' ' ' ARG . . . . . . . . . . . . . 2.4 mtt-85 -63.01 -32.77 74.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 32.450000000000003 110.738 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 58' ' ' LEU . . . . . 0.692 HD22 HG23 ' B' ' 73' ' ' THR . 26.6 mt -71.82 -60.8 2.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 22.399999999999999 110.691 179.801 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 59' ' ' ALA . . . . . . . . . . . . . . . -47.22 -30.03 2.74 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.937 -0.574 . . . . 18.93 111.18 179.732 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 60' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.29 -58.44 4.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.053 -0.521 . . . . 19.41 110.802 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 61' ' ' GLU . . . . . 0.447 ' HA ' ' CG ' ' D' ' 64' ' ' GLU . 2.1 mm-40 -58.53 -29.73 66.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.286 -0.415 . . . . 11.99 110.755 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 62' ' ' GLN . . . . . 0.711 ' HB2' HD12 ' C' ' 74' ' ' LEU . 2.0 mm-40 -72.03 -38.77 69.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.994 -0.548 . . . . 11.65 110.787 179.815 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 63' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -69.59 -57.27 5.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.075 -0.511 . . . . 16.899999999999999 110.918 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 64' ' ' GLU . . . . . 0.447 ' CG ' ' HA ' ' D' ' 61' ' ' GLU . 0.0 OUTLIER -50.83 -30.38 14.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.99 0.424 . . . . 18.829999999999998 110.608 179.702 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' D' D ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.08 -49.93 58.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.919 -0.582 . . . . 9.4800000000000004 110.593 179.622 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 66' ' ' VAL . . . . . 0.605 HG23 ' O ' ' D' ' 62' ' ' GLN . 38.3 t -57.6 -31.85 40.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.069 -0.514 . . . . 8.9299999999999997 110.929 179.699 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.82 -53.32 58.73 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.933 -0.576 . . . . 17.82 111.21 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 68' ' ' LYS . . . . . . . . . . . . . 21.9 tttt -59.06 -34.1 71.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.321 -0.399 . . . . 11.19 111.093 -179.759 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 69' ' ' MET . . . . . . . . . . . . . 35.0 ttp -73.48 -45.25 55.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 11.300000000000001 111.133 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 70' ' ' VAL . . . . . 0.504 HG13 ' OH ' ' A' ' 78' ' ' TYR . 99.9 t -79.68 -21.6 12.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 11.66 111.191 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -68.75 -39.73 80.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.957 0.408 . . . . 18.66 110.707 179.686 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -70.77 -50.14 39.12 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.049 -0.523 . . . . 23.91 110.521 179.639 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 73' ' ' THR . . . . . 0.675 HG23 HD22 ' B' ' 58' ' ' LEU . 98.3 m -52.61 -43.36 65.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.077 -0.51 . . . . 22.210000000000001 110.659 179.792 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 74' ' ' LEU . . . . . 0.403 HD13 ' HB2' ' C' ' 62' ' ' GLN . 71.3 mt -63.93 -36.67 84.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 26.920000000000002 110.821 179.819 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 75' ' ' LYS . . . . . . . . . . . . . 1.1 ttpt -51.95 -43.94 63.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 29.870000000000001 110.764 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 76' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -76.18 -36.18 58.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.049 -0.523 . . . . 29.48 110.51 179.748 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 77' ' ' LEU . . . . . 0.407 ' CD1' ' CD1' ' A' ' 78' ' ' TYR . 17.2 mt -57.97 -41.87 83.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.961 -0.563 . . . . 28.43 110.66 179.734 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 78' ' ' TYR . . . . . 0.634 ' HB3' ' HB1' ' C' ' 55' ' ' ALA . 4.6 m-85 -82.44 -33.02 28.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.005 -0.543 . . . . 34.409999999999997 110.815 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 79' ' ' LYS . . . . . . . . . . . . . 6.0 ttmt . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 40.68 110.871 -179.974 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.142 0 CA-C-O 120.869 0.366 . . . . 30.710000000000001 110.718 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -65.55 -51.03 62.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 27.77 110.496 179.668 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 47.1 mtp180 -62.37 -44.88 95.44 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.953 -0.567 . . . . 26.98 110.384 179.459 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.467 HD23 ' HA ' ' A' ' 58' ' ' LEU . 13.7 mt -56.23 -49.9 72.8 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.729 -0.668 . . . . 28.170000000000002 110.771 179.72 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.41 -37.76 50.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.078 -0.51 . . . . 24.530000000000001 110.905 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.45 -34.72 65.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.107 -0.497 . . . . 26.059999999999999 110.775 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -69.78 -47.41 63.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 27.620000000000001 110.742 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.492 ' HA ' HD12 ' A' ' 65' ' ' LEU . 47.1 mm-40 -59.95 -40.98 90.83 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.059 -0.519 . . . . 19.670000000000002 110.685 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 59.0 m -67.29 -31.86 72.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 16.039999999999999 110.814 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -60.12 -49.72 76.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 18.02 110.598 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.492 HD12 ' HA ' ' A' ' 62' ' ' GLN . 3.6 mt -56.17 -44.69 79.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.052 -0.522 . . . . 16.649999999999999 110.724 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.425 ' O ' ' HG2' ' A' ' 69' ' ' MET . 72.2 t -68.31 -46.45 80.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.197 -0.456 . . . . 10.01 110.865 179.797 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.26 -25.04 67.49 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.203 -0.453 . . . . 18.43 110.471 179.55 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 13.8 ttpt -79.05 -42.78 25.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.078 -0.51 . . . . 21.010000000000002 110.731 179.64 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.456 ' HE2' HG21 ' C' ' 73' ' ' THR . 8.0 ptt? -66.72 -27.16 67.4 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.279 -0.419 . . . . 8.6199999999999992 110.718 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.404 HG23 ' O ' ' A' ' 66' ' ' VAL . 62.5 t -78.15 -44.03 27.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.233 -0.44 . . . . 5.3399999999999999 110.539 179.64 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.415 ' O ' ' CB ' ' A' ' 75' ' ' LYS . 35.8 t80 -49.94 -58.33 5.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.327 -0.397 . . . . 15.42 110.533 179.776 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -54.92 -45.55 74.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 9.3900000000000006 110.349 179.46 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.462 HG21 ' HE1' ' C' ' 69' ' ' MET . 19.0 m -60.99 -68.97 0.26 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.965 -0.561 . . . . 12.65 110.373 179.677 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.465 ' CD1' ' HB3' ' B' ' 62' ' ' GLN . 14.2 mt -52.34 -38.81 59.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 18.829999999999998 111.016 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.415 ' CB ' ' O ' ' A' ' 71' ' ' PHE . 14.0 tttt -54.63 -68.59 0.17 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.127 0.489 . . . . 21.719999999999999 110.176 179.474 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -62.46 -29.44 70.53 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.66 -0.7 . . . . 15.460000000000001 110.938 179.695 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.621 ' C ' HD12 ' A' ' 77' ' ' LEU . 0.7 OUTLIER -65.15 -60.97 2.44 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.29 -0.414 . . . . 19.210000000000001 110.665 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.513 ' CZ ' HG21 ' D' ' 73' ' ' THR . 20.8 m-85 -56.54 -26.42 54.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.352 -0.385 . . . . 25.789999999999999 110.486 179.716 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.89 -28.22 68.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.49 . . . . 27.07 110.719 179.799 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.64 -42.43 98.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 30.050000000000001 110.835 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 71.4 p . . . . . 0 C--N 1.326 -0.443 0 CA-C-N 116.102 -0.499 . . . . 34.009999999999998 110.796 179.907 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.816 0.341 . . . . 33.310000000000002 111.011 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -52.05 -41.42 62.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.257 -0.428 . . . . 33.0 110.878 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -70.16 -50.54 39.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.128 -0.487 . . . . 30.210000000000001 110.765 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 6.2 mtt180 -58.96 -38.73 79.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 26.780000000000001 110.644 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 58' ' ' LEU . . . . . 0.863 HD22 HG23 ' D' ' 73' ' ' THR . 60.0 mt -63.7 -60.48 3.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.064 -0.516 . . . . 18.140000000000001 110.67 179.723 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 59' ' ' ALA . . . . . 0.424 ' O ' ' CB ' ' B' ' 63' ' ' SER . . . -47.95 -28.18 2.58 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.847 -0.615 . . . . 18.420000000000002 111.135 179.815 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 62.3 t0 -73.67 -62.29 1.54 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 22.149999999999999 110.874 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 61' ' ' GLU . . . . . 0.722 ' OE2' HD23 ' B' ' 58' ' ' LEU . 10.4 pt-20 -57.4 -41.44 80.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.435 -0.348 . . . . 16.16 110.55 179.709 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 62' ' ' GLN . . . . . 0.603 ' O ' HG23 ' B' ' 66' ' ' VAL . 0.0 OUTLIER -67.47 -39.85 85.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 15.09 110.974 179.695 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 63' ' ' SER . . . . . 0.424 ' CB ' ' O ' ' B' ' 59' ' ' ALA . 78.9 p -70.78 -56.71 5.75 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.393 -0.367 . . . . 12.67 110.7 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 23.1 pt-20 -50.91 -35.59 33.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.434 . . . . 10.369999999999999 110.735 179.758 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 3.8 tt -61.68 -43.46 98.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.195 -0.457 . . . . 5.6299999999999999 110.648 179.747 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 66' ' ' VAL . . . . . 0.603 HG23 ' O ' ' B' ' 62' ' ' GLN . 11.1 t -57.61 -42.48 81.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 6.6799999999999997 110.985 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 8.2 tttp -54.7 -57.8 10.04 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.077 -0.511 . . . . 17.359999999999999 110.866 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 1.5 mptt -52.79 -38.13 60.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 18.57 110.762 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 69' ' ' MET . . . . . . . . . . . . . 16.7 ttp -67.04 -49.9 63.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 13.1 110.952 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 75.2 t -72.69 -24.83 21.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.01 -0.541 . . . . 15.51 111.37 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -59.9 -49.44 77.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.867 0.365 . . . . 25.129999999999999 110.644 179.76 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -64.33 -45.29 88.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 28.710000000000001 110.58 179.754 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 73' ' ' THR . . . . . 0.842 HG23 HD22 ' D' ' 58' ' ' LEU . 51.6 m -52.18 -50.48 61.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.097 -0.501 . . . . 21.120000000000001 110.795 179.756 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 74' ' ' LEU . . . . . 0.448 ' HA ' HD12 ' B' ' 77' ' ' LEU . 36.0 mt -62.06 -41.22 97.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.114 -0.494 . . . . 21.309999999999999 110.834 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -50.19 -39.02 42.73 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.288 -0.414 . . . . 27.940000000000001 110.624 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -80.93 -34.99 32.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.953 -0.567 . . . . 30.710000000000001 110.563 179.651 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.489 HD11 ' CD1' ' C' ' 78' ' ' TYR . 19.0 mt -58.77 -42.54 89.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.029 -0.532 . . . . 30.43 110.847 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -79.06 -46.93 17.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.497 . . . . 32.549999999999997 110.846 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 12.3 ttpt . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 115.992 -0.549 . . . . 40.420000000000002 111.093 -179.95 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.122 0 CA-C-O 120.795 0.331 . . . . 35.810000000000002 110.808 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -65.61 -51.22 61.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.127 -0.488 . . . . 30.949999999999999 110.462 179.58 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 57' ' ' ARG . . . . . . . . . . . . . 46.8 mtp180 -62.23 -44.92 95.46 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.881 -0.6 . . . . 38.829999999999998 110.396 179.484 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 58' ' ' LEU . . . . . 0.449 HD23 ' HA ' ' C' ' 58' ' ' LEU . 13.8 mt -56.19 -50.09 72.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.748 -0.66 . . . . 28.440000000000001 110.705 179.727 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.16 -37.74 48.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.089 -0.505 . . . . 20.91 110.94 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.49 -34.68 65.42 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.138 -0.483 . . . . 18.98 110.795 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -69.9 -47.3 63.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.476 . . . . 21.219999999999999 110.811 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 62' ' ' GLN . . . . . 0.485 ' HA ' HD12 ' C' ' 65' ' ' LEU . 46.4 mm-40 -60.0 -41.02 91.2 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.018 -0.537 . . . . 24.079999999999998 110.734 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 63' ' ' SER . . . . . . . . . . . . . 59.9 m -67.13 -32.1 73.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 17.239999999999998 110.902 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -60.03 -49.64 76.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.216 -0.447 . . . . 26.84 110.624 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 65' ' ' LEU . . . . . 0.485 HD12 ' HA ' ' C' ' 62' ' ' GLN . 3.6 mt -56.05 -44.86 79.25 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.053 -0.522 . . . . 19.050000000000001 110.754 179.834 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 66' ' ' VAL . . . . . 0.431 ' O ' ' HG2' ' C' ' 69' ' ' MET . 67.6 t -68.24 -46.49 80.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.211 -0.449 . . . . 15.25 110.85 179.779 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 67' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.03 -25.19 67.73 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.239 -0.437 . . . . 9.0899999999999999 110.476 179.5 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 68' ' ' LYS . . . . . . . . . . . . . 13.8 ttpt -79.14 -42.58 25.87 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.074 -0.512 . . . . 13.789999999999999 110.775 179.751 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 69' ' ' MET . . . . . 0.462 ' HE1' HG21 ' A' ' 73' ' ' THR . 7.9 ptt? -66.85 -27.0 67.18 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.318 -0.401 . . . . 8.7300000000000004 110.748 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 70' ' ' VAL . . . . . 0.407 HG23 ' O ' ' C' ' 66' ' ' VAL . 62.7 t -78.25 -43.81 27.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.179 -0.464 . . . . 9.1400000000000006 110.604 179.604 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 71' ' ' PHE . . . . . 0.42 ' O ' ' CB ' ' C' ' 75' ' ' LYS . 35.7 t80 -50.08 -58.51 5.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.289 -0.414 . . . . 14.75 110.487 179.705 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -54.85 -45.61 74.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 12.550000000000001 110.272 179.541 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 73' ' ' THR . . . . . 0.456 HG21 ' HE2' ' A' ' 69' ' ' MET . 19.2 m -61.03 -68.96 0.26 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.028 -0.533 . . . . 10.630000000000001 110.456 179.649 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 74' ' ' LEU . . . . . 0.454 ' CD1' ' HB3' ' D' ' 62' ' ' GLN . 14.3 mt -52.3 -38.9 59.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 13.17 111.076 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 75' ' ' LYS . . . . . 0.42 ' CB ' ' O ' ' C' ' 71' ' ' PHE . 14.0 tttt -54.48 -68.61 0.17 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.2 -0.455 . . . . 14.65 110.201 179.412 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 76' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -62.56 -29.41 70.56 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.618 -0.719 . . . . 17.870000000000001 110.906 179.735 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 77' ' ' LEU . . . . . 0.612 ' C ' HD12 ' C' ' 77' ' ' LEU . 0.7 OUTLIER -65.01 -61.04 2.39 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.426 -0.352 . . . . 21.27 110.612 179.921 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' C' C ' 78' ' ' TYR . . . . . 0.53 ' CZ ' HG21 ' B' ' 73' ' ' THR . 20.9 m-85 -56.49 -26.47 54.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.954 0.406 . . . . 26.140000000000001 110.578 179.678 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.85 -28.5 68.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.075 -0.511 . . . . 24.649999999999999 110.692 179.742 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.25 -42.51 98.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.172 -0.467 . . . . 29.219999999999999 110.915 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 81' ' ' THR . . . . . . . . . . . . . 71.4 p . . . . . 0 C--N 1.327 -0.404 0 CA-C-N 116.126 -0.488 . . . . 33.509999999999998 110.833 180.0 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.826 0.346 . . . . 32.859999999999999 111.058 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' D' D ' 55' ' ' ALA . . . . . . . . . . . . . . . -51.98 -41.44 62.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 29.489999999999998 110.894 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -70.0 -50.75 38.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.056 -0.52 . . . . 33.109999999999999 110.755 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 57' ' ' ARG . . . . . . . . . . . . . 6.1 mtt180 -58.76 -38.77 79.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 26.780000000000001 110.697 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 58' ' ' LEU . . . . . 0.842 HD22 HG23 ' B' ' 73' ' ' THR . 60.7 mt -63.75 -60.25 3.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.069 -0.514 . . . . 22.18 110.719 179.737 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 59' ' ' ALA . . . . . 0.421 ' O ' ' CB ' ' D' ' 63' ' ' SER . . . -48.14 -28.1 2.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.742 -0.663 . . . . 20.039999999999999 111.174 179.83 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 60' ' ' ASP . . . . . . . . . . . . . 62.5 t0 -73.84 -62.02 1.64 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.103 -0.499 . . . . 18.390000000000001 110.817 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 61' ' ' GLU . . . . . 0.718 ' OE2' HD23 ' D' ' 58' ' ' LEU . 10.4 pt-20 -57.56 -41.37 80.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.44 -0.346 . . . . 11.779999999999999 110.536 179.742 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 62' ' ' GLN . . . . . 0.598 ' O ' HG23 ' D' ' 66' ' ' VAL . 0.0 OUTLIER -67.44 -39.74 85.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 10.67 110.966 179.785 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' D' D ' 63' ' ' SER . . . . . 0.421 ' CB ' ' O ' ' D' ' 59' ' ' ALA . 78.8 p -70.86 -56.81 5.47 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.327 -0.397 . . . . 16.510000000000002 110.755 179.816 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 64' ' ' GLU . . . . . . . . . . . . . 23.0 pt-20 -50.95 -35.49 33.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 17.09 110.738 179.807 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 65' ' ' LEU . . . . . 0.411 ' HB2' ' O ' ' D' ' 61' ' ' GLU . 3.7 tt -61.76 -43.5 98.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.13 -0.486 . . . . 9.6400000000000006 110.682 179.669 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 66' ' ' VAL . . . . . 0.598 HG23 ' O ' ' D' ' 62' ' ' GLN . 11.0 t -57.71 -42.3 81.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.249 -0.432 . . . . 8.0999999999999996 111.034 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 67' ' ' LYS . . . . . . . . . . . . . 8.2 tttp -54.71 -57.89 9.72 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.062 -0.517 . . . . 12.67 110.78 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 68' ' ' LYS . . . . . . . . . . . . . 1.5 mptt -52.61 -38.14 59.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 8.6600000000000001 110.784 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 69' ' ' MET . . . . . . . . . . . . . 16.7 ttp -67.03 -49.98 63.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 11.26 110.868 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 70' ' ' VAL . . . . . . . . . . . . . 77.4 t -72.65 -24.91 21.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.02 -0.537 . . . . 10.789999999999999 111.355 -179.606 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -59.81 -49.45 77.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.782 0.325 . . . . 17.82 110.698 179.751 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -64.29 -45.64 87.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 24.57 110.559 179.72 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 73' ' ' THR . . . . . 0.863 HG23 HD22 ' B' ' 58' ' ' LEU . 52.5 m -51.77 -50.66 60.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 24.079999999999998 110.791 179.73 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 74' ' ' LEU . . . . . 0.482 HD13 ' HB2' ' C' ' 62' ' ' GLN . 35.9 mt -61.89 -41.43 97.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 27.09 110.859 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 75' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -49.91 -39.07 38.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.937 0.399 . . . . 28.030000000000001 110.65 179.835 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 76' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -81.08 -34.71 32.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.94 -0.573 . . . . 28.030000000000001 110.615 179.712 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 77' ' ' LEU . . . . . 0.495 HD11 ' CD1' ' A' ' 78' ' ' TYR . 19.0 mt -59.0 -42.6 90.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.036 -0.529 . . . . 28.289999999999999 110.705 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 78' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -78.97 -47.13 16.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 33.649999999999999 110.81 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 79' ' ' LYS . . . . . . . . . . . . . 12.4 ttpt . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.076 -0.511 . . . . 43.789999999999999 111.1 -179.907 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.571 ' HB1' ' HB3' ' B' ' 78' ' ' TYR . . . . . . . . 0 N--CA 1.456 -0.146 0 CA-C-O 120.877 0.37 . . . . 30.5 110.637 . . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.6 -49.24 69.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 26.82 110.31 179.523 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 1.4 tmm_? -62.67 -45.13 94.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.95 -0.568 . . . . 27.690000000000001 110.088 179.339 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.445 HD23 ' HA ' ' A' ' 58' ' ' LEU . 14.9 mt -57.15 -47.23 81.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.686 -0.688 . . . . 26.010000000000002 110.574 179.494 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -52.84 -33.79 51.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.047 -0.524 . . . . 23.73 110.811 179.839 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -79.48 -27.04 41.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 26.219999999999999 110.696 179.868 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -70.72 -52.86 18.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.434 . . . . 28.309999999999999 110.72 179.874 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.811 ' HA ' HD12 ' A' ' 65' ' ' LEU . 0.4 OUTLIER -61.69 -39.58 91.97 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.962 -0.563 . . . . 20.5 110.363 179.681 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 66.5 m -62.71 -32.79 73.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.0 -0.545 . . . . 16.030000000000001 110.603 179.769 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -64.08 -43.07 96.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.102 -0.499 . . . . 18.620000000000001 110.61 179.71 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.811 HD12 ' HA ' ' A' ' 62' ' ' GLN . 3.6 mt -59.9 -33.1 71.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 15.300000000000001 110.505 179.68 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 49.0 t -74.4 -46.8 42.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.981 -0.554 . . . . 10.449999999999999 110.944 179.805 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 10.5 tttm -61.39 -45.1 95.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 19.670000000000002 110.628 179.803 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.1 mtmm -62.57 -33.87 75.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.145 -0.48 . . . . 20.129999999999999 110.605 179.842 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 36.4 ttp -71.22 -38.6 71.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.109 -0.496 . . . . 7.7400000000000002 110.67 179.853 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 55.4 t -71.89 -41.5 69.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.487 . . . . 3.98 110.851 179.779 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.433 ' O ' ' CB ' ' A' ' 75' ' ' LYS . 33.2 t80 -53.55 -60.69 2.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.47 -0.332 . . . . 11.85 110.536 179.895 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.49 -42.79 61.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.43 -0.35 . . . . 7.71 110.577 179.812 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 17.8 m -65.64 -71.94 0.17 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.222 -0.445 . . . . 13.75 110.322 179.651 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.726 HD12 ' HB2' ' B' ' 62' ' ' GLN . 15.1 mt -49.94 -35.09 22.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.089 -0.505 . . . . 18.66 111.12 -179.969 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.433 ' CB ' ' O ' ' A' ' 71' ' ' PHE . 12.2 tttt -54.17 -71.36 0.08 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.146 0.498 . . . . 19.920000000000002 110.198 179.241 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.44 -30.11 69.44 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.677 -0.692 . . . . 14.609999999999999 110.763 179.636 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.628 ' C ' HD12 ' A' ' 77' ' ' LEU . 0.6 OUTLIER -65.29 -66.47 0.54 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.361 -0.381 . . . . 19.41 110.695 179.96 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.61 ' OH ' HG13 ' D' ' 70' ' ' VAL . 19.1 m-85 -54.09 -23.36 13.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.324 -0.398 . . . . 25.109999999999999 110.887 179.85 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 4.7 mmtp -74.86 -29.14 60.94 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.348 -0.387 . . . . 27.190000000000001 110.533 179.823 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.05 -33.82 70.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.025 -0.534 . . . . 28.710000000000001 110.963 179.924 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 33.560000000000002 110.778 -179.96 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.806 0.336 . . . . 34.450000000000003 110.802 . . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.31 -56.24 22.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.293 -0.412 . . . . 33.93 110.712 179.754 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.49 -38.94 91.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.039 -0.528 . . . . 32.020000000000003 110.393 179.5 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 10.5 ttm180 -65.89 -33.61 76.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.091 -0.504 . . . . 27.5 110.088 179.344 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 58' ' ' LEU . . . . . 0.433 HD22 HG23 ' D' ' 73' ' ' THR . 11.5 mt -66.08 -58.69 4.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.819 -0.628 . . . . 19.52 110.737 179.829 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -46.35 -37.66 7.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.905 -0.589 . . . . 17.620000000000001 110.936 179.825 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.52 -48.32 81.22 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.896 -0.593 . . . . 23.309999999999999 110.36 179.579 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -66.42 -32.4 73.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.974 -0.557 . . . . 15.76 110.375 179.635 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 62' ' ' GLN . . . . . 0.726 ' HB2' HD12 ' A' ' 74' ' ' LEU . 15.0 mm-40 -71.29 -44.78 64.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.069 -0.514 . . . . 14.880000000000001 110.481 179.461 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 1.3 m -61.7 -55.83 26.14 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.121 -0.49 . . . . 14.26 110.673 179.858 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 20.4 pt-20 -51.08 -33.25 25.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.051 -0.522 . . . . 12.630000000000001 110.675 179.741 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.05 -42.55 94.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 5.79 110.569 179.694 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 66' ' ' VAL . . . . . 0.54 HG23 ' O ' ' B' ' 62' ' ' GLN . 3.6 t -64.16 -37.86 80.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.228 -0.442 . . . . 7.4100000000000001 111.038 179.849 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 25.3 ttmt -54.96 -61.99 1.95 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.103 -0.499 . . . . 19.77 110.883 179.961 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 1.4 tttm -50.83 -36.57 38.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.134 -0.485 . . . . 14.869999999999999 110.743 179.852 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 69' ' ' MET . . . . . . . . . . . . . 30.2 ttp -67.65 -49.56 62.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.991 -0.55 . . . . 12.83 110.963 -179.92 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.615 HG13 ' OH ' ' C' ' 78' ' ' TYR . 66.5 t -74.84 -23.67 17.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 15.49 111.211 -179.876 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 18.1 t80 -65.5 -35.47 80.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.307 -0.406 . . . . 24.510000000000002 110.663 179.814 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -74.83 -45.09 45.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.054 -0.521 . . . . 27.98 110.719 179.831 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 73' ' ' THR . . . . . 0.441 HG23 HD22 ' D' ' 58' ' ' LEU . 58.2 m -57.86 -53.76 54.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 20.530000000000001 110.9 179.856 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 74' ' ' LEU . . . . . 0.543 HD23 HD12 ' B' ' 77' ' ' LEU . 56.5 mt -55.82 -41.03 73.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.267 -0.424 . . . . 22.390000000000001 110.839 179.951 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.13 -47.48 45.43 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.03 0.443 . . . . 29.210000000000001 110.742 179.783 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -71.83 -33.45 68.49 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.854 -0.612 . . . . 31.510000000000002 110.666 179.679 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.543 HD12 HD23 ' B' ' 74' ' ' LEU . 16.2 mt -62.37 -49.41 75.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.063 -0.517 . . . . 30.800000000000001 110.893 179.842 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 78' ' ' TYR . . . . . 0.571 ' HB3' ' HB1' ' A' ' 55' ' ' ALA . 23.1 m-85 -76.17 -29.69 57.81 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.153 -0.476 . . . . 33.75 110.826 179.98 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 17.6 tppt? . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 38.479999999999997 110.937 -179.985 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' C' C ' 55' ' ' ALA . . . . . 0.645 ' HB1' ' HB3' ' D' ' 78' ' ' TYR . . . . . . . . 0 N--CA 1.456 -0.166 0 CA-C-O 120.9 0.381 . . . . 35.520000000000003 110.657 . . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.61 -49.38 68.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.09 -0.505 . . . . 30.469999999999999 110.264 179.587 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' C' C ' 57' ' ' ARG . . . . . . . . . . . . . 1.4 tmm_? -62.5 -44.96 95.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.85 -0.614 . . . . 38.479999999999997 110.144 179.342 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 58' ' ' LEU . . . . . 0.459 ' HA ' HD23 ' C' ' 58' ' ' LEU . 15.0 mt -57.33 -47.28 81.96 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.653 -0.703 . . . . 30.300000000000001 110.604 179.533 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' C' C ' 59' ' ' ALA . . . . . 0.407 ' HA ' HD13 ' D' ' 74' ' ' LEU . . . -52.84 -33.82 51.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.973 -0.558 . . . . 21.559999999999999 110.864 179.869 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -79.25 -27.23 42.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.093 -0.503 . . . . 19.77 110.716 179.822 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -70.64 -52.96 17.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 20.539999999999999 110.705 179.913 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 62' ' ' GLN . . . . . 0.791 ' HA ' HD12 ' C' ' 65' ' ' LEU . 0.4 OUTLIER -61.75 -39.3 91.11 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.997 -0.547 . . . . 22.870000000000001 110.425 179.721 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' C' C ' 63' ' ' SER . . . . . . . . . . . . . 67.2 m -62.83 -32.88 74.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.982 -0.553 . . . . 17.77 110.569 179.654 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -63.94 -43.16 96.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 26.07 110.625 179.75 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 65' ' ' LEU . . . . . 0.791 HD12 ' HA ' ' C' ' 62' ' ' GLN . 3.6 mt -59.87 -33.1 71.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 19.91 110.508 179.608 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' C' C ' 66' ' ' VAL . . . . . . . . . . . . . 49.1 t -74.32 -46.59 43.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.037 -0.528 . . . . 14.44 111.032 179.729 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 67' ' ' LYS . . . . . . . . . . . . . 10.6 tttm -61.69 -44.92 96.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 7.8499999999999996 110.699 179.793 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 68' ' ' LYS . . . . . . . . . . . . . 1.1 mtmm -62.67 -33.77 75.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 14.539999999999999 110.626 179.833 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 69' ' ' MET . . . . . . . . . . . . . 37.1 ttp -71.32 -38.65 71.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.021 -0.536 . . . . 8.7100000000000009 110.677 179.845 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 52.9 t -71.83 -41.35 69.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.072 -0.513 . . . . 9.1300000000000008 110.699 179.841 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 71' ' ' PHE . . . . . 0.437 ' O ' ' CB ' ' C' ' 75' ' ' LYS . 33.2 t80 -53.71 -60.79 2.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.49 -0.323 . . . . 17.829999999999998 110.537 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.41 -42.84 61.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.423 -0.353 . . . . 14.609999999999999 110.62 179.863 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' C' C ' 73' ' ' THR . . . . . . . . . . . . . 18.1 m -65.63 -71.81 0.18 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 9.2799999999999994 110.346 179.568 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 74' ' ' LEU . . . . . 0.699 HD12 ' HB2' ' D' ' 62' ' ' GLN . 14.3 mt -49.9 -35.26 23.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 13.029999999999999 111.025 -179.968 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' C' C ' 75' ' ' LYS . . . . . 0.437 ' CB ' ' O ' ' C' ' 71' ' ' PHE . 12.3 tttt -54.29 -71.44 0.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.223 -0.444 . . . . 16.329999999999998 110.085 179.355 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' C' C ' 76' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.32 -30.11 69.3 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.747 -0.66 . . . . 18.870000000000001 110.779 179.691 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' C' C ' 77' ' ' LEU . . . . . 0.628 ' C ' HD12 ' C' ' 77' ' ' LEU . 0.7 OUTLIER -65.45 -66.44 0.55 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.371 -0.377 . . . . 21.510000000000002 110.64 179.955 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' C' C ' 78' ' ' TYR . . . . . 0.615 ' OH ' HG13 ' B' ' 70' ' ' VAL . 19.1 m-85 -54.1 -23.37 13.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.467 -0.333 . . . . 27.579999999999998 110.831 179.905 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 4.7 mmtp -74.7 -29.3 61.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.921 0.391 . . . . 24.77 110.597 179.765 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.1 -33.6 70.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.993 -0.548 . . . . 29.899999999999999 110.958 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' C' C ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 33.950000000000003 110.819 179.993 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.886 0.374 . . . . 32.039999999999999 110.864 . . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.39 -56.36 21.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 28.73 110.603 179.808 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.31 -39.04 91.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.018 -0.537 . . . . 34.289999999999999 110.316 179.595 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' D' D ' 57' ' ' ARG . . . . . . . . . . . . . 10.4 ttm180 -65.77 -33.74 76.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.098 -0.501 . . . . 25.27 110.148 179.389 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 58' ' ' LEU . . . . . 0.441 HD22 HG23 ' B' ' 73' ' ' THR . 11.5 mt -65.91 -58.96 4.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.822 -0.626 . . . . 22.129999999999999 110.729 179.805 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' D' D ' 59' ' ' ALA . . . . . . . . . . . . . . . -46.11 -37.76 7.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.877 -0.601 . . . . 20.280000000000001 110.948 179.817 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.55 -47.99 82.38 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.897 -0.592 . . . . 22.66 110.337 179.531 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' D' D ' 61' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -66.81 -31.99 72.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.076 -0.511 . . . . 15.58 110.333 179.546 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 62' ' ' GLN . . . . . 0.699 ' HB2' HD12 ' C' ' 74' ' ' LEU . 15.5 mm-40 -71.59 -44.42 64.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.112 -0.495 . . . . 10.109999999999999 110.479 179.464 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' D' D ' 63' ' ' SER . . . . . . . . . . . . . 1.3 m -62.19 -55.87 24.34 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.04 -0.527 . . . . 15.800000000000001 110.629 179.884 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 64' ' ' GLU . . . . . . . . . . . . . 20.4 pt-20 -51.14 -33.32 26.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.106 -0.497 . . . . 15.880000000000001 110.649 179.815 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 65' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -64.98 -42.46 94.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 10.109999999999999 110.587 179.678 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' D' D ' 66' ' ' VAL . . . . . 0.54 HG23 ' O ' ' D' ' 62' ' ' GLN . 3.6 t -64.28 -37.91 81.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.208 -0.451 . . . . 7.5599999999999996 111.06 179.884 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' D' D ' 67' ' ' LYS . . . . . . . . . . . . . 25.3 ttmt -54.82 -61.94 1.98 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.037 -0.528 . . . . 8.2300000000000004 110.809 179.962 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 68' ' ' LYS . . . . . . . . . . . . . 1.3 tttm -50.9 -36.1 36.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 10.380000000000001 110.829 179.89 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 69' ' ' MET . . . . . . . . . . . . . 29.2 ttp -68.13 -49.34 61.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.005 -0.543 . . . . 11.539999999999999 111.01 -179.922 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 70' ' ' VAL . . . . . 0.61 HG13 ' OH ' ' A' ' 78' ' ' TYR . 61.5 t -74.86 -23.81 17.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.275 -0.42 . . . . 11.609999999999999 111.194 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 18.1 t80 -65.45 -35.53 81.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.924 0.393 . . . . 18.170000000000002 110.651 179.879 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -74.74 -45.08 46.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.11 -0.495 . . . . 25.010000000000002 110.751 179.821 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 73' ' ' THR . . . . . 0.433 HG23 HD22 ' B' ' 58' ' ' LEU . 57.2 m -58.04 -53.61 56.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.105 -0.498 . . . . 25.050000000000001 110.886 179.95 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' D' D ' 74' ' ' LEU . . . . . 0.519 HD23 HD12 ' D' ' 77' ' ' LEU . 54.6 mt -55.97 -40.72 73.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.291 -0.413 . . . . 26.399999999999999 110.792 -179.982 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' D' D ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.45 -47.49 48.22 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.258 -0.428 . . . . 27.300000000000001 110.703 179.822 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' D' D ' 76' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -71.77 -33.43 68.61 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.852 -0.613 . . . . 28.030000000000001 110.647 179.748 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 77' ' ' LEU . . . . . 0.519 HD12 HD23 ' D' ' 74' ' ' LEU . 16.2 mt -62.46 -49.58 74.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.027 -0.533 . . . . 28.77 110.812 179.837 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' D' D ' 78' ' ' TYR . . . . . 0.645 ' HB3' ' HB1' ' C' ' 55' ' ' ALA . 22.9 m-85 -75.9 -29.79 58.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.267 -0.424 . . . . 32.799999999999997 110.912 180.0 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' D' D ' 79' ' ' LYS . . . . . . . . . . . . . 17.6 tppt? . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.127 -0.488 . . . . 43.75 110.888 179.972 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.179 0 CA-C-O 120.844 0.354 . . . . 35.039999999999999 110.734 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -63.98 -51.67 63.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 29.940000000000001 110.51 179.625 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 44.3 mtp180 -61.48 -44.42 97.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.01 -0.541 . . . . 37.840000000000003 110.265 179.558 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.473 HD23 ' HA ' ' A' ' 58' ' ' LEU . 10.7 mt -54.07 -51.41 64.2 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.813 -0.63 . . . . 30.02 110.451 179.675 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.478 ' HA ' HD13 ' B' ' 74' ' ' LEU . . . -51.69 -34.18 37.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 21.260000000000002 110.676 179.669 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.2 -29.55 66.42 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.079 -0.51 . . . . 17.899999999999999 110.504 179.659 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.67 -47.05 27.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.1 -0.5 . . . . 19.789999999999999 110.618 179.796 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.556 ' HA ' HD12 ' A' ' 65' ' ' LEU . 49.1 mm-40 -55.33 -49.72 71.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.956 -0.565 . . . . 22.66 110.608 179.735 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.2 m -59.24 -36.91 76.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.116 -0.493 . . . . 17.73 110.571 179.699 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.421 ' O ' ' HG2' ' A' ' 67' ' ' LYS . 2.8 tt0 -58.03 -28.88 64.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.043 -0.526 . . . . 25.280000000000001 110.539 179.783 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.556 HD12 ' HA ' ' A' ' 62' ' ' GLN . 10.8 mt -77.26 -32.56 55.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.09 -0.504 . . . . 19.93 110.239 179.493 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 43.3 t -78.6 -40.86 24.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.902 -0.59 . . . . 14.550000000000001 110.763 179.624 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.421 ' HG2' ' O ' ' A' ' 64' ' ' GLU . 10.3 ptmt -61.75 -44.79 96.21 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.109 -0.496 . . . . 7.9800000000000004 110.486 179.846 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.44 ' HG3' ' N ' ' A' ' 69' ' ' MET . 2.7 pttp -62.26 -41.34 98.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.07 -0.514 . . . . 14.529999999999999 110.445 179.662 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.666 ' HE2' HG21 ' C' ' 73' ' ' THR . 27.7 ttp -62.81 -39.6 94.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.081 -0.509 . . . . 9.0700000000000003 110.34 179.494 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 65.2 t -71.54 -42.23 72.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.899 -0.591 . . . . 9.0299999999999994 110.553 179.569 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.426 ' O ' ' CB ' ' A' ' 75' ' ' LYS . 50.7 t80 -53.41 -60.1 3.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.314 -0.403 . . . . 17.57 110.305 179.681 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -51.83 -44.93 63.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.254 -0.43 . . . . 14.09 110.461 179.753 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.638 HG21 ' HE2' ' C' ' 69' ' ' MET . 19.6 m -64.92 -70.56 0.22 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 9.0700000000000003 110.348 179.638 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.734 HD12 ' HB2' ' B' ' 62' ' ' GLN . 12.3 mt -49.31 -35.23 17.56 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.144 -0.48 . . . . 12.869999999999999 111.013 179.921 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.426 ' CB ' ' O ' ' A' ' 71' ' ' PHE . 5.5 tttp -54.53 -70.51 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.099 -0.501 . . . . 16.02 110.292 179.667 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -61.98 -25.17 67.47 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.799 -0.637 . . . . 18.559999999999999 110.95 179.87 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.862 ' O ' HD12 ' A' ' 77' ' ' LEU . 0.8 OUTLIER -72.19 -44.28 63.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.397 -0.365 . . . . 21.43 110.978 -179.752 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.515 ' OH ' HG13 ' D' ' 70' ' ' VAL . 14.8 m-85 -72.65 -24.09 61.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.859 0.362 . . . . 27.329999999999998 110.77 179.703 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -74.91 -30.85 61.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 24.52 110.346 179.512 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 12.1 tttm -71.32 -33.26 69.5 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.943 -0.572 . . . . 29.699999999999999 110.796 179.807 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 33.710000000000001 110.893 179.864 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.664 0.269 . . . . 32.75 111.179 . . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.48 -46.44 86.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.414 -0.357 . . . . 29.280000000000001 111.176 179.994 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.34 -55.76 14.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 33.299999999999997 110.98 -179.86 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 20.3 mmt180 -49.81 -31.91 12.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 26.059999999999999 111.054 -179.927 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 58' ' ' LEU . . . . . 0.687 HD22 HG23 ' D' ' 73' ' ' THR . 20.5 mt -69.75 -60.52 2.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 22.420000000000002 111.159 -179.973 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -44.33 -28.9 0.59 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.004 -0.544 . . . . 20.670000000000002 111.353 -179.854 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -73.96 -45.67 48.77 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.101 -0.499 . . . . 22.100000000000001 110.749 179.761 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -61.77 -33.5 74.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.264 -0.426 . . . . 13.25 110.766 179.833 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 62' ' ' GLN . . . . . 0.734 ' HB2' HD12 ' A' ' 74' ' ' LEU . 3.9 mm-40 -70.79 -50.1 39.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.193 -0.458 . . . . 10.43 110.747 179.833 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 1.3 m -51.54 -58.0 7.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.283 -0.417 . . . . 16.190000000000001 110.534 179.872 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 64' ' ' GLU . . . . . 0.4 ' HG3' ' N ' ' B' ' 65' ' ' LEU . 8.8 pt-20 -52.38 -33.48 43.51 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 116.106 -0.497 . . . . 16.140000000000001 110.554 179.709 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 65' ' ' LEU . . . . . 0.4 ' N ' ' HG3' ' B' ' 64' ' ' GLU . 0.2 OUTLIER -69.66 -45.59 68.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.992 -0.549 . . . . 9.7599999999999998 110.622 179.797 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' B' B ' 66' ' ' VAL . . . . . 0.61 HG23 ' O ' ' B' ' 62' ' ' GLN . 17.8 t -63.63 -33.88 64.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.154 -0.475 . . . . 7.5199999999999996 111.028 179.821 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.62 -56.04 24.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 8.4499999999999993 110.815 179.914 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.94 -35.43 61.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.224 -0.443 . . . . 11.73 110.724 179.799 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 69' ' ' MET . . . . . . . . . . . . . 35.6 ttp -67.1 -50.71 60.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.114 -0.494 . . . . 11.51 110.867 179.979 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.518 HG13 ' OH ' ' C' ' 78' ' ' TYR . 51.4 t -74.27 -24.26 18.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.03 -0.532 . . . . 11.48 111.213 -179.891 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -60.74 -45.78 92.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.266 -0.424 . . . . 17.940000000000001 110.698 179.723 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -69.23 -40.86 77.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 25.190000000000001 110.59 179.813 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 73' ' ' THR . . . . . 0.667 HG23 HD22 ' D' ' 58' ' ' LEU . 52.9 m -57.06 -45.92 82.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.453 . . . . 24.890000000000001 110.661 179.782 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 74' ' ' LEU . . . . . 0.478 HD13 ' HA ' ' A' ' 59' ' ' ALA . 68.7 mt -64.46 -37.73 88.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.487 . . . . 26.699999999999999 110.827 179.83 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 2.2 ttpt -51.69 -41.69 61.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 27.190000000000001 110.52 179.806 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -77.01 -35.12 57.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.998 -0.546 . . . . 27.91 110.491 179.568 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.446 HD11 ' CD1' ' C' ' 78' ' ' TYR . 13.7 mt -58.88 -49.91 75.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.993 -0.549 . . . . 28.969999999999999 110.744 179.664 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -76.23 -42.04 47.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.048 -0.524 . . . . 33.310000000000002 110.9 179.908 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 8.9 tttp . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.494 . . . . 45.57 110.963 -179.964 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.871 0.367 . . . . 30.260000000000002 110.732 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -64.23 -51.53 63.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.092 -0.504 . . . . 26.52 110.589 179.691 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 57' ' ' ARG . . . . . . . . . . . . . 43.7 mtp180 -61.61 -44.39 97.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.995 -0.548 . . . . 26.34 110.275 179.517 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 58' ' ' LEU . . . . . 0.478 ' HA ' HD23 ' C' ' 58' ' ' LEU . 10.7 mt -53.88 -51.48 63.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.766 -0.652 . . . . 25.82 110.535 179.633 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.68 -34.26 37.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.093 -0.503 . . . . 23.66 110.683 179.785 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.92 -29.98 67.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.053 -0.521 . . . . 25.289999999999999 110.578 179.657 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.27 -47.18 29.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.999 -0.546 . . . . 26.739999999999998 110.586 179.792 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' C' C ' 62' ' ' GLN . . . . . 0.539 ' HA ' HD12 ' C' ' 65' ' ' LEU . 49.4 mm-40 -55.11 -50.01 70.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.95 -0.568 . . . . 20.48 110.533 179.734 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' C' C ' 63' ' ' SER . . . . . 0.437 ' CB ' ' HG2' ' D' ' 67' ' ' LYS . 1.2 m -59.02 -36.92 75.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.113 -0.494 . . . . 15.84 110.679 179.666 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' C' C ' 64' ' ' GLU . . . . . 0.421 ' O ' ' HG2' ' C' ' 67' ' ' LYS . 2.8 tt0 -58.05 -28.8 64.85 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.058 -0.519 . . . . 18.960000000000001 110.56 179.746 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' C' C ' 65' ' ' LEU . . . . . 0.539 HD12 ' HA ' ' C' ' 62' ' ' GLN . 11.0 mt -77.31 -32.63 55.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.032 -0.531 . . . . 15.19 110.191 179.559 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' C' C ' 66' ' ' VAL . . . . . . . . . . . . . 43.4 t -78.59 -40.9 24.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.891 -0.595 . . . . 10.51 110.788 179.605 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 67' ' ' LYS . . . . . 0.421 ' HG2' ' O ' ' C' ' 64' ' ' GLU . 10.2 ptmt -61.56 -44.77 96.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 20.07 110.59 179.719 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' C' C ' 68' ' ' LYS . . . . . 0.434 ' HG3' ' N ' ' C' ' 69' ' ' MET . 2.7 pttp -62.38 -41.37 98.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.107 -0.497 . . . . 18.34 110.45 179.581 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' C' C ' 69' ' ' MET . . . . . 0.638 ' HE2' HG21 ' A' ' 73' ' ' THR . 28.2 ttp -62.74 -39.63 94.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.061 -0.518 . . . . 7.8799999999999999 110.248 179.542 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 68.4 t -71.58 -42.35 71.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.962 -0.563 . . . . 3.8500000000000001 110.528 179.625 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 71' ' ' PHE . . . . . 0.423 ' O ' ' CB ' ' C' ' 75' ' ' LYS . 50.9 t80 -53.23 -60.38 3.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.301 -0.409 . . . . 12.6 110.284 179.682 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -51.57 -44.91 62.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 7.75 110.5 179.764 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 73' ' ' THR . . . . . 0.666 HG21 ' HE2' ' A' ' 69' ' ' MET . 19.5 m -64.98 -70.64 0.22 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.11 -0.496 . . . . 13.76 110.369 179.63 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' C' C ' 74' ' ' LEU . . . . . 0.758 HD12 ' HB2' ' D' ' 62' ' ' GLN . 12.1 mt -49.38 -35.04 17.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 18.68 110.991 179.938 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' C' C ' 75' ' ' LYS . . . . . 0.423 ' CB ' ' O ' ' C' ' 71' ' ' PHE . 5.4 tttp -54.54 -70.56 0.1 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.171 -0.468 . . . . 21.510000000000002 110.275 179.586 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' C' C ' 76' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -61.86 -25.52 67.58 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.752 -0.658 . . . . 14.699999999999999 111.004 179.853 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 77' ' ' LEU . . . . . 0.857 ' O ' HD12 ' C' ' 77' ' ' LEU . 0.8 OUTLIER -71.75 -44.33 64.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.366 -0.379 . . . . 19.699999999999999 110.951 -179.787 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' C' C ' 78' ' ' TYR . . . . . 0.518 ' OH ' HG13 ' B' ' 70' ' ' VAL . 14.7 m-85 -72.69 -24.26 60.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.422 -0.354 . . . . 25.309999999999999 110.611 179.843 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -74.79 -30.74 61.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.284 -0.416 . . . . 27.489999999999998 110.411 179.541 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 11.9 tttm -71.38 -33.27 69.37 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.918 -0.583 . . . . 29.02 110.842 179.746 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.238 0 CA-C-N 116.102 -0.499 . . . . 33.460000000000001 110.92 179.948 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.702 0.287 . . . . 34.710000000000001 111.141 . . . . . . . . . 1 1 . 1 . 022 nuclear build core ' D' D ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.56 -46.41 86.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.421 -0.354 . . . . 33.950000000000003 111.131 -179.942 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.28 -55.76 14.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.431 . . . . 30.489999999999998 110.983 -179.923 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' D' D ' 57' ' ' ARG . . . . . . . . . . . . . 20.3 mmt180 -49.7 -32.33 13.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 29.75 110.989 -179.842 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' D' D ' 58' ' ' LEU . . . . . 0.667 HD22 HG23 ' B' ' 73' ' ' THR . 20.1 mt -69.49 -61.13 1.91 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 19.420000000000002 111.083 -179.857 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' D' D ' 59' ' ' ALA . . . . . . . . . . . . . . . -43.58 -29.27 0.46 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.901 -0.591 . . . . 18.309999999999999 111.33 -179.96 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' D' D ' 60' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -73.83 -45.84 48.77 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.039 -0.528 . . . . 23.149999999999999 110.808 179.769 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' D' D ' 61' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -61.51 -33.69 74.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 15.970000000000001 110.795 179.836 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' D' D ' 62' ' ' GLN . . . . . 0.758 ' HB2' HD12 ' C' ' 74' ' ' LEU . 3.8 mm-40 -70.65 -50.4 37.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.485 . . . . 14.94 110.739 179.846 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' D' D ' 63' ' ' SER . . . . . . . . . . . . . 1.2 m -51.09 -57.96 7.32 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.347 -0.388 . . . . 14.24 110.602 179.854 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' D' D ' 64' ' ' GLU . . . . . 0.4 ' HG3' ' N ' ' D' ' 65' ' ' LEU . 8.9 pt-20 -52.4 -33.39 43.35 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 116.043 -0.526 . . . . 12.380000000000001 110.58 179.604 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' D' D ' 65' ' ' LEU . . . . . 0.4 ' N ' ' HG3' ' D' ' 64' ' ' GLU . 0.2 OUTLIER -69.58 -45.67 68.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.995 -0.548 . . . . 5.6900000000000004 110.678 179.687 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' D' D ' 66' ' ' VAL . . . . . 0.587 HG23 ' O ' ' D' ' 62' ' ' GLN . 17.4 t -63.53 -34.01 64.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.056 -0.52 . . . . 7.4299999999999997 111.062 179.828 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' D' D ' 67' ' ' LYS . . . . . 0.437 ' HG2' ' CB ' ' C' ' 63' ' ' SER . 0.0 OUTLIER -61.51 -56.15 23.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 18.629999999999999 110.779 179.903 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' D' D ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.96 -35.38 61.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 17.100000000000001 110.802 179.906 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' D' D ' 69' ' ' MET . . . . . 0.424 ' CE ' ' HB3' ' B' ' 62' ' ' GLN . 36.4 ttp -67.22 -50.52 60.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.111 -0.495 . . . . 12.789999999999999 110.884 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' D' D ' 70' ' ' VAL . . . . . 0.515 HG13 ' OH ' ' A' ' 78' ' ' TYR . 52.1 t -74.27 -24.37 18.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.055 -0.521 . . . . 15.42 111.17 -179.905 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 31.2 t80 -60.79 -45.8 92.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 24.399999999999999 110.642 179.811 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -69.11 -40.9 78.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 28.210000000000001 110.561 179.775 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' D' D ' 73' ' ' THR . . . . . 0.687 HG23 HD22 ' B' ' 58' ' ' LEU . 51.8 m -56.96 -45.94 82.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 20.280000000000001 110.768 179.759 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' D' D ' 74' ' ' LEU . . . . . . . . . . . . . 67.6 mt -64.51 -37.71 88.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 22.27 110.754 179.897 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' D' D ' 75' ' ' LYS . . . . . . . . . . . . . 2.1 ttpt -51.56 -41.92 61.47 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.2 -0.455 . . . . 29.18 110.462 179.781 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' D' D ' 76' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -76.93 -35.02 57.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.967 -0.561 . . . . 31.289999999999999 110.495 179.675 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' D' D ' 77' ' ' LEU . . . . . 0.477 HD11 ' CD1' ' A' ' 78' ' ' TYR . 13.6 mt -59.05 -49.83 76.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.009 -0.542 . . . . 30.670000000000002 110.758 179.667 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' D' D ' 78' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -76.17 -42.05 47.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.103 -0.499 . . . . 33.619999999999997 110.896 179.907 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' D' D ' 79' ' ' LYS . . . . . . . . . . . . . 8.8 tttp . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.084 -0.507 . . . . 40.280000000000001 110.94 -179.909 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.16 0 CA-C-O 120.808 0.337 . . . . 31.48 110.723 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.07 -50.83 52.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.095 -0.502 . . . . 28.300000000000001 110.495 179.585 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 2.4 mmt180 -63.43 -44.42 94.63 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.975 -0.557 . . . . 28.420000000000002 110.316 179.528 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.505 HD23 ' HA ' ' A' ' 58' ' ' LEU . 11.6 mt -53.8 -50.72 65.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.872 -0.604 . . . . 30.460000000000001 110.433 179.486 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.52 -38.06 52.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.046 -0.525 . . . . 24.510000000000002 110.85 179.771 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.66 -26.39 37.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.021 -0.536 . . . . 24.969999999999999 110.66 179.852 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -73.24 -51.3 18.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 26.600000000000001 110.696 179.874 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.529 ' HB2' HD13 ' B' ' 74' ' ' LEU . 55.5 mm-40 -61.39 -36.05 79.2 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.019 -0.537 . . . . 18.690000000000001 110.754 179.8 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 24.8 p -65.04 -36.83 85.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 16.329999999999998 110.64 179.794 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -56.39 -55.53 32.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.431 . . . . 19.84 110.646 179.824 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.9 mt -51.08 -38.0 49.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 18.899999999999999 110.578 179.719 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 64.8 t -69.96 -50.6 47.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.049 -0.523 . . . . 10.35 110.925 179.83 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 24.0 tttm -57.65 -41.43 81.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.121 -0.491 . . . . 15.84 110.823 179.9 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 15.6 ttpt -60.44 -38.27 83.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 22.140000000000001 110.608 179.753 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 36.1 ttp -64.42 -44.62 90.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 9.1400000000000006 110.556 179.632 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.602 HG21 HG21 ' B' ' 66' ' ' VAL . 92.9 t -66.89 -43.57 89.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.143 -0.48 . . . . 7.2999999999999998 110.994 179.93 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.421 ' O ' ' CB ' ' A' ' 75' ' ' LYS . 21.1 t80 -53.41 -60.62 3.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.812 0.339 . . . . 18.890000000000001 110.591 179.972 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -53.14 -42.39 66.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.384 -0.371 . . . . 11.529999999999999 110.556 179.82 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 20.7 m -66.96 -69.52 0.3 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.435 . . . . 10.630000000000001 110.277 179.635 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.471 ' HG ' HG13 ' A' ' 70' ' ' VAL . 13.5 mt -50.67 -37.11 39.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.048 -0.524 . . . . 18.050000000000001 111.185 179.936 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.421 ' CB ' ' O ' ' A' ' 71' ' ' PHE . 3.9 tttp -52.98 -71.06 0.07 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.105 0.479 . . . . 20.969999999999999 110.05 179.405 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -61.28 -32.28 72.12 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.582 -0.736 . . . . 17.379999999999999 110.934 179.83 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.633 ' O ' HD12 ' A' ' 77' ' ' LEU . 0.7 OUTLIER -61.94 -58.78 6.61 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.435 -0.348 . . . . 19.73 110.722 -179.937 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.449 ' CE2' ' HB3' ' A' ' 74' ' ' LEU . 21.0 m-85 -62.4 -23.61 66.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.321 -0.4 . . . . 26.670000000000002 110.905 179.799 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.67 -33.13 62.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.318 -0.401 . . . . 27.620000000000001 110.609 179.772 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 8.7 tmtt? -69.39 -34.79 75.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.099 -0.501 . . . . 31.149999999999999 110.81 179.868 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.132 -0.486 . . . . 34.060000000000002 110.935 -179.999 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.835 0.35 . . . . 31.77 110.934 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -51.7 -42.42 62.2 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.157 -0.474 . . . . 31.25 110.764 179.77 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 9.5 tm-20 -72.41 -35.55 68.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.072 -0.513 . . . . 29.27 110.674 179.704 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 3.7 mpt_? -65.73 -36.61 84.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 21.989999999999998 110.687 179.791 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 58' ' ' LEU . . . . . 0.952 HD13 ' CG2' ' D' ' 73' ' ' THR . 78.0 mt -67.4 -51.59 50.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.015 -0.539 . . . . 17.789999999999999 110.647 179.872 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 59' ' ' ALA . . . . . 0.409 ' O ' ' CB ' ' B' ' 63' ' ' SER . . . -49.98 -37.45 32.45 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.972 -0.558 . . . . 18.68 110.983 179.799 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 60' ' ' ASP . . . . . 0.419 ' HA ' ' HG ' ' B' ' 63' ' ' SER . 33.2 t0 -70.86 -50.69 32.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 22.93 110.926 179.845 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -62.36 -38.29 88.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 16.149999999999999 110.683 179.699 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 62' ' ' GLN . . . . . 0.471 ' HB3' ' CD1' ' A' ' 74' ' ' LEU . 0.2 OUTLIER -76.44 -41.93 45.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.034 -0.53 . . . . 14.359999999999999 110.818 179.812 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' B' B ' 63' ' ' SER . . . . . 0.419 ' HG ' ' HA ' ' B' ' 60' ' ' ASP . 79.5 p -66.17 -54.61 23.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.297 -0.41 . . . . 12.880000000000001 110.531 179.791 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -51.24 -38.26 51.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.137 -0.483 . . . . 7.7999999999999998 110.698 179.735 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.77 -42.9 94.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.019 -0.537 . . . . 5.8099999999999996 110.68 179.79 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 66' ' ' VAL . . . . . 0.739 HG13 ' CE ' ' B' ' 69' ' ' MET . 59.1 t -58.53 -36.05 57.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 5.8200000000000003 110.908 179.859 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 67' ' ' LYS . . . . . 0.421 ' O ' ' HB2' ' B' ' 71' ' ' PHE . 7.1 ttpt -69.26 -31.78 70.55 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.129 -0.487 . . . . 14.130000000000001 110.643 179.842 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 12.9 tttt -74.56 -38.74 62.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.079 -0.51 . . . . 17.829999999999998 110.794 179.948 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 69' ' ' MET . . . . . 0.739 ' CE ' HG13 ' B' ' 66' ' ' VAL . 20.8 ptt? -74.42 -36.01 63.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.327 -0.397 . . . . 12.91 110.739 179.951 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.662 HG23 ' O ' ' B' ' 66' ' ' VAL . 58.3 t -80.14 -31.79 13.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.082 -0.508 . . . . 15.42 111.174 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.421 ' HB2' ' O ' ' B' ' 67' ' ' LYS . 14.0 t80 -58.85 -53.0 63.34 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.324 -0.398 . . . . 24.690000000000001 110.589 179.707 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.36 -44.69 96.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 28.539999999999999 110.68 179.769 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 73' ' ' THR . . . . . 0.966 ' CG2' HD13 ' D' ' 58' ' ' LEU . 63.5 m -56.47 -62.14 1.93 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.111 -0.495 . . . . 22.920000000000002 110.82 179.764 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 74' ' ' LEU . . . . . 0.529 HD13 ' HB2' ' A' ' 62' ' ' GLN . 49.4 mt -50.57 -39.29 49.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 20.989999999999998 110.96 -179.924 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 2.1 ttpt -49.89 -49.11 50.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.939 0.4 . . . . 25.809999999999999 110.61 179.919 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -70.55 -37.54 74.05 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.921 -0.582 . . . . 30.260000000000002 110.694 179.716 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.465 HD12 ' HA ' ' B' ' 74' ' ' LEU . 9.7 mt -56.2 -50.03 72.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.049 -0.523 . . . . 30.32 110.967 179.845 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 39.3 m-85 -71.16 -43.84 66.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 31.34 110.98 -179.946 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.46 . . . . 41.399999999999999 110.949 -179.936 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.156 0 CA-C-O 120.875 0.369 . . . . 34.740000000000002 110.724 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.36 -50.73 51.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.083 -0.508 . . . . 30.140000000000001 110.43 179.624 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' C' C ' 57' ' ' ARG . . . . . . . . . . . . . 2.4 mmt180 -63.5 -44.34 94.61 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.038 -0.528 . . . . 36.5 110.245 179.577 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 58' ' ' LEU . . . . . 0.486 HD23 ' HA ' ' C' ' 58' ' ' LEU . 11.4 mt -53.89 -50.77 65.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.831 -0.622 . . . . 25.16 110.456 179.551 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.62 -37.91 52.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.966 -0.561 . . . . 20.25 110.809 179.724 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.59 -26.59 37.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.036 -0.529 . . . . 20.91 110.704 179.775 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -73.07 -51.22 18.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.06 -0.518 . . . . 22.789999999999999 110.731 179.885 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 62' ' ' GLN . . . . . 0.44 ' HB2' HD13 ' D' ' 74' ' ' LEU . 56.0 mm-40 -61.53 -35.96 79.22 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.952 -0.567 . . . . 25.309999999999999 110.738 179.865 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' C' C ' 63' ' ' SER . . . . . . . . . . . . . 24.7 p -65.16 -36.94 85.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 17.18 110.67 179.856 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -56.21 -55.43 33.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 26.199999999999999 110.653 179.79 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 65' ' ' LEU . . . . . . . . . . . . . 1.9 mt -51.3 -37.97 50.37 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.14 -0.482 . . . . 17.34 110.573 179.75 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 66' ' ' VAL . . . . . . . . . . . . . 64.2 t -69.86 -50.73 46.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.017 -0.538 . . . . 15.029999999999999 110.912 179.768 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 67' ' ' LYS . . . . . . . . . . . . . 24.0 tttm -57.5 -41.44 80.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.047 -0.524 . . . . 12.56 110.853 179.826 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 68' ' ' LYS . . . . . . . . . . . . . 15.6 ttpt -60.39 -38.31 83.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.438 . . . . 12.57 110.62 179.78 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 69' ' ' MET . . . . . . . . . . . . . 36.1 ttp -64.46 -44.73 90.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.071 -0.513 . . . . 7.6600000000000001 110.561 179.688 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 70' ' ' VAL . . . . . 0.514 HG21 HG21 ' D' ' 66' ' ' VAL . 94.0 t -66.71 -43.58 90.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 8.9800000000000004 111.032 179.821 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' C' C ' 71' ' ' PHE . . . . . 0.429 ' O ' ' CB ' ' C' ' 75' ' ' LYS . 21.1 t80 -53.44 -60.56 3.14 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.956 -0.297 . . . . 10.15 110.608 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -53.21 -42.1 65.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.33 -0.396 . . . . 11.369999999999999 110.564 179.884 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 73' ' ' THR . . . . . . . . . . . . . 20.7 m -67.3 -69.45 0.31 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 12.859999999999999 110.285 179.653 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 74' ' ' LEU . . . . . 0.468 ' HG ' HG13 ' C' ' 70' ' ' VAL . 13.3 mt -50.7 -36.96 38.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.059 -0.519 . . . . 14.26 111.127 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' C' C ' 75' ' ' LYS . . . . . 0.429 ' CB ' ' O ' ' C' ' 71' ' ' PHE . 3.9 tttp -53.12 -71.24 0.07 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.084 0.469 . . . . 13.369999999999999 110.011 179.298 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' C' C ' 76' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -61.24 -32.04 71.83 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.643 -0.708 . . . . 16.710000000000001 110.951 179.807 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 77' ' ' LEU . . . . . 0.631 ' O ' HD12 ' C' ' 77' ' ' LEU . 0.8 OUTLIER -62.08 -58.7 6.83 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.501 -0.318 . . . . 21.149999999999999 110.815 179.961 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' C' C ' 78' ' ' TYR . . . . . 0.443 ' CE2' ' HB3' ' C' ' 74' ' ' LEU . 20.9 m-85 -62.47 -23.64 67.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 23.989999999999998 110.901 179.822 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.68 -33.04 62.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.358 -0.383 . . . . 28.100000000000001 110.612 179.789 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 8.8 tmtt? -69.47 -34.81 74.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.085 -0.507 . . . . 26.949999999999999 110.772 179.877 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 32.960000000000001 110.887 -179.97 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.847 0.356 . . . . 33.32 110.922 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' D' D ' 55' ' ' ALA . . . . . . . . . . . . . . . -51.87 -42.37 62.6 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.156 -0.474 . . . . 30.690000000000001 110.749 179.848 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 9.5 tm-20 -72.49 -35.57 68.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.038 -0.528 . . . . 29.440000000000001 110.668 179.743 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' D' D ' 57' ' ' ARG . . . . . . . . . . . . . 3.7 mpt_? -65.73 -36.34 83.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.074 -0.512 . . . . 30.239999999999998 110.73 179.761 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' D' D ' 58' ' ' LEU . . . . . 0.966 HD13 ' CG2' ' B' ' 73' ' ' THR . 77.2 mt -67.72 -51.21 52.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.057 -0.52 . . . . 21.789999999999999 110.657 179.815 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' D' D ' 59' ' ' ALA . . . . . 0.409 ' O ' ' CB ' ' D' ' 63' ' ' SER . . . -50.34 -37.53 37.33 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.013 -0.539 . . . . 18.870000000000001 110.866 179.928 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' D' D ' 60' ' ' ASP . . . . . 0.411 ' HA ' ' HG ' ' D' ' 63' ' ' SER . 31.0 t0 -70.88 -50.15 38.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.09 -0.505 . . . . 16.210000000000001 110.876 179.986 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' D' D ' 61' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -62.92 -38.3 90.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.882 0.372 . . . . 10.91 110.614 179.701 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' D' D ' 62' ' ' GLN . . . . . 0.448 ' HB3' ' CD1' ' C' ' 74' ' ' LEU . 0.3 OUTLIER -76.11 -42.11 48.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.028 -0.533 . . . . 11.279999999999999 110.741 179.806 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' D' D ' 63' ' ' SER . . . . . 0.411 ' HG ' ' HA ' ' D' ' 60' ' ' ASP . 80.2 p -66.17 -55.0 18.49 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.228 -0.442 . . . . 16.59 110.597 179.775 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' D' D ' 64' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -50.85 -38.3 48.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.099 -0.5 . . . . 16.440000000000001 110.733 179.732 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' D' D ' 65' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.79 -42.93 94.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.04 -0.527 . . . . 8.9100000000000001 110.745 179.782 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' D' D ' 66' ' ' VAL . . . . . 0.739 HG13 ' CE ' ' D' ' 69' ' ' MET . 58.5 t -58.57 -35.74 56.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.059 -0.518 . . . . 9.4000000000000004 111.021 179.791 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' D' D ' 67' ' ' LYS . . . . . 0.419 ' O ' ' HB2' ' D' ' 71' ' ' PHE . 7.1 ttpt -69.53 -31.86 70.33 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.085 -0.507 . . . . 15.99 110.65 179.797 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' D' D ' 68' ' ' LYS . . . . . . . . . . . . . 13.0 tttt -74.37 -38.85 63.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.047 -0.524 . . . . 9.8100000000000005 110.785 179.871 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' D' D ' 69' ' ' MET . . . . . 0.739 ' CE ' HG13 ' D' ' 66' ' ' VAL . 20.8 ptt? -74.36 -36.07 63.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.328 -0.397 . . . . 10.890000000000001 110.771 179.962 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' D' D ' 70' ' ' VAL . . . . . 0.67 HG23 ' O ' ' D' ' 66' ' ' VAL . 59.0 t -80.02 -31.83 13.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.477 . . . . 11.550000000000001 111.111 179.947 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' D' D ' 71' ' ' PHE . . . . . 0.419 ' HB2' ' O ' ' D' ' 67' ' ' LYS . 14.0 t80 -58.84 -53.3 59.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.341 -0.391 . . . . 18.530000000000001 110.61 179.763 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.86 -45.0 96.25 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.234 -0.439 . . . . 24.0 110.723 179.641 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' D' D ' 73' ' ' THR . . . . . 0.952 ' CG2' HD13 ' B' ' 58' ' ' LEU . 63.1 m -56.16 -62.28 1.82 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.084 -0.507 . . . . 22.710000000000001 110.876 179.724 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' D' D ' 74' ' ' LEU . . . . . 0.485 ' CD1' HG12 ' D' ' 70' ' ' VAL . 49.0 mt -50.55 -39.31 48.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 26.960000000000001 110.989 -179.91 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' D' D ' 75' ' ' LYS . . . . . . . . . . . . . 2.0 ttpt -49.87 -48.9 51.06 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.26 -0.427 . . . . 29.379999999999999 110.761 179.899 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' D' D ' 76' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -70.71 -37.44 73.55 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.916 -0.584 . . . . 29.199999999999999 110.718 179.712 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' D' D ' 77' ' ' LEU . . . . . 0.469 HD12 ' HA ' ' D' ' 74' ' ' LEU . 9.8 mt -56.29 -50.17 72.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.072 -0.513 . . . . 28.68 110.934 179.745 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' D' D ' 78' ' ' TYR . . . . . . . . . . . . . 39.0 m-85 -70.91 -43.97 67.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 34.369999999999997 111.0 -179.921 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' D' D ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 42.460000000000001 110.967 -179.908 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.523 ' HB1' ' CB ' ' B' ' 78' ' ' TYR . . . . . . . . 0 N--CA 1.457 -0.111 0 CA-C-O 120.866 0.365 . . . . 31.18 110.442 . . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -71.13 -54.86 9.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.017 -0.538 . . . . 27.260000000000002 110.212 179.34 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 1.7 mtp85 -60.81 -40.43 92.68 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.791 -0.641 . . . . 28.77 110.216 179.412 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.453 HD23 ' HA ' ' A' ' 58' ' ' LEU . 14.6 mt -61.7 -52.83 62.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.853 -0.612 . . . . 24.989999999999998 110.744 179.661 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -49.13 -30.18 6.32 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.101 -0.5 . . . . 23.199999999999999 111.082 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -81.41 -28.72 34.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.428 . . . . 25.469999999999999 110.701 179.821 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -78.15 -47.66 17.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 28.43 110.674 179.846 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.568 ' HB2' HD13 ' B' ' 74' ' ' LEU . 50.8 mm-40 -59.37 -45.46 91.37 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.883 -0.599 . . . . 22.27 110.762 179.915 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 82.1 p -62.31 -35.78 80.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 16.140000000000001 110.763 179.757 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -58.27 -38.69 77.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 20.34 110.785 179.767 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.8 mt -63.73 -45.01 91.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 14.75 110.724 179.821 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 41.8 t -64.32 -40.6 89.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.071 -0.513 . . . . 10.73 111.012 179.906 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.405 ' HG3' ' HB2' ' B' ' 63' ' ' SER . 35.1 tttt -59.67 -51.18 70.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 19.719999999999999 110.715 179.86 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.0 ttmt -55.66 -38.24 69.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 18.690000000000001 110.523 179.751 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 47.4 ttp -63.1 -39.62 95.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.096 -0.502 . . . . 7.1399999999999997 110.585 179.706 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 24.6 t -72.96 -45.65 54.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 5.0999999999999996 110.631 179.799 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.431 ' O ' ' HB2' ' A' ' 75' ' ' LYS . 22.0 t80 -51.49 -72.97 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.941 -0.392 . . . . 9.4499999999999993 109.941 179.429 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -44.52 -34.51 2.13 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.257 -0.428 . . . . 8.5800000000000001 110.947 179.482 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.0 m -68.12 -73.53 0.14 Allowed 'General case' 0 N--CA 1.454 -0.246 0 CA-C-O 120.963 0.411 . . . . 14.359999999999999 110.179 179.501 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.684 HD12 ' HB2' ' B' ' 62' ' ' GLN . 21.1 mt -51.04 -32.05 20.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.997 -0.547 . . . . 18.43 111.103 179.863 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.431 ' HB2' ' O ' ' A' ' 71' ' ' PHE . 2.2 ttmt -54.67 -62.07 1.9 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.317 -0.401 . . . . 18.73 110.517 179.711 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.15 -32.67 72.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.072 -0.513 . . . . 14.42 110.766 179.801 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.624 ' C ' HD12 ' A' ' 77' ' ' LEU . 0.6 OUTLIER -66.72 -65.55 0.67 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.109 -0.496 . . . . 19.760000000000002 110.461 179.889 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.789 ' OH ' HG13 ' D' ' 70' ' ' VAL . 21.1 m-30 -54.81 -26.34 34.21 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.871 0.367 . . . . 24.559999999999999 110.686 179.647 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 3.5 mttt -66.81 -40.97 88.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.091 -0.504 . . . . 29.43 110.929 179.978 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 5.0 ttpt -68.19 -33.73 74.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.224 -0.444 . . . . 28.41 110.833 -179.985 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.408 ' OG1' ' HA ' ' A' ' 78' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 33.57 110.893 179.92 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 6.4 t70 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.792 0.329 . . . . 34.770000000000003 111.001 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.75 -48.19 82.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 33.880000000000003 111.114 -179.874 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -63.28 -44.26 95.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.258 -0.428 . . . . 30.079999999999998 110.802 -179.987 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 65.8 mtt-85 -62.12 -37.06 83.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.425 . . . . 30.219999999999999 110.801 179.944 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 58' ' ' LEU . . . . . 0.726 HD22 HG23 ' D' ' 73' ' ' THR . 36.2 mt -62.79 -53.72 50.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.005 -0.543 . . . . 19.829999999999998 110.749 179.911 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -50.78 -40.32 54.88 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.896 -0.593 . . . . 17.5 111.045 -179.962 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 60' ' ' ASP . . . . . 0.405 ' HA ' ' OG ' ' B' ' 63' ' ' SER . 22.7 t0 -66.04 -34.56 78.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 21.390000000000001 110.642 179.953 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.75 -42.63 85.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 14.890000000000001 110.448 179.615 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 62' ' ' GLN . . . . . 0.961 ' O ' HG23 ' B' ' 66' ' ' VAL . 2.5 mm-40 -71.92 -48.36 46.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.943 -0.571 . . . . 14.199999999999999 111.262 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 63' ' ' SER . . . . . 0.405 ' OG ' ' HA ' ' B' ' 60' ' ' ASP . 1.8 p -51.76 -52.26 50.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.442 -0.345 . . . . 14.56 111.634 -179.343 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -57.21 -58.51 7.91 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.488 -0.324 . . . . 15.02 111.773 -179.169 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 65' ' ' LEU . . . . . 0.528 HD21 ' HA ' ' B' ' 62' ' ' GLN . 1.6 pp -52.22 -32.84 38.48 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.869 -0.332 . . . . 5.8799999999999999 110.821 -179.624 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 66' ' ' VAL . . . . . 0.961 HG23 ' O ' ' B' ' 62' ' ' GLN . 92.9 t -61.13 -52.3 63.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.865 0.364 . . . . 8.2200000000000006 111.029 179.805 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 67' ' ' LYS . . . . . 0.429 ' O ' ' HB2' ' B' ' 71' ' ' PHE . 7.8 ttmt -52.45 -35.76 53.14 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.206 -0.452 . . . . 19.829999999999998 110.886 -179.79 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.53 -38.43 87.14 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.25 -0.432 . . . . 16.899999999999999 111.493 -179.702 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 69' ' ' MET . . . . . 0.716 ' HE1' HG13 ' B' ' 66' ' ' VAL . 2.5 ptt? -68.38 -39.07 81.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.938 0.399 . . . . 12.26 111.069 -179.668 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.773 HG13 ' OH ' ' C' ' 78' ' ' TYR . 61.6 t -87.07 -25.13 6.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.109 -0.496 . . . . 14.94 111.547 -179.466 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.429 ' HB2' ' O ' ' B' ' 67' ' ' LYS . 10.8 t80 -65.18 -36.89 85.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.812 0.339 . . . . 23.07 110.448 179.712 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -78.42 -44.2 25.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 27.399999999999999 110.534 179.586 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 73' ' ' THR . . . . . 0.776 HG23 HD22 ' D' ' 58' ' ' LEU . 53.5 m -57.91 -43.09 85.97 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.231 -0.441 . . . . 19.879999999999999 110.675 179.738 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 74' ' ' LEU . . . . . 0.568 HD13 ' HB2' ' A' ' 62' ' ' GLN . 50.8 mt -64.45 -42.86 95.71 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.185 -0.462 . . . . 22.93 110.87 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -50.17 -40.61 47.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.446 . . . . 29.670000000000002 110.673 179.869 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -80.02 -31.17 39.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.938 -0.574 . . . . 31.120000000000001 110.68 179.759 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.62 HD21 HD12 ' D' ' 58' ' ' LEU . 23.9 mt -61.0 -38.06 84.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.014 -0.539 . . . . 29.809999999999999 110.839 179.901 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 78' ' ' TYR . . . . . 0.523 ' CB ' ' HB1' ' A' ' 55' ' ' ALA . 4.2 m-85 -84.65 -36.82 21.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 33.82 110.774 179.928 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 2.4 mmmt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.095 -0.502 . . . . 38.509999999999998 111.137 -179.984 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' C' C ' 55' ' ' ALA . . . . . 0.456 ' HB1' ' CB ' ' D' ' 78' ' ' TYR . . . . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.852 0.358 . . . . 34.869999999999997 110.444 . . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -71.12 -54.81 9.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.056 -0.52 . . . . 29.960000000000001 110.204 179.343 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 57' ' ' ARG . . . . . . . . . . . . . 1.7 mtp85 -60.68 -40.48 92.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.869 -0.605 . . . . 37.009999999999998 110.26 179.311 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 58' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' C' ' 58' ' ' LEU . 14.7 mt -61.65 -52.99 62.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.86 -0.609 . . . . 31.100000000000001 110.783 179.589 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -49.28 -29.9 6.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.1 -0.5 . . . . 22.010000000000002 111.084 -179.935 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -81.57 -28.77 33.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 19.52 110.637 179.731 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -77.98 -47.58 18.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.08 -0.509 . . . . 20.140000000000001 110.682 179.826 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' C' C ' 62' ' ' GLN . . . . . 0.598 ' HB2' HD13 ' D' ' 74' ' ' LEU . 51.0 mm-40 -59.48 -45.47 91.58 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.885 -0.598 . . . . 21.420000000000002 110.781 179.972 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' C' C ' 63' ' ' SER . . . . . . . . . . . . . 81.9 p -62.32 -35.71 79.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 18.300000000000001 110.698 179.85 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -58.43 -38.54 77.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 24.010000000000002 110.718 179.914 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 65' ' ' LEU . . . . . . . . . . . . . 1.9 mt -63.94 -45.0 91.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 20.199999999999999 110.676 179.887 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 66' ' ' VAL . . . . . . . . . . . . . 42.3 t -64.36 -40.59 89.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.087 -0.506 . . . . 14.0 110.906 179.938 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 67' ' ' LYS . . . . . 0.419 ' HG3' ' HB2' ' D' ' 63' ' ' SER . 34.7 tttt -59.73 -51.23 70.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.098 -0.501 . . . . 7.6600000000000001 110.661 179.865 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' C' C ' 68' ' ' LYS . . . . . . . . . . . . . 2.0 ttmt -55.62 -38.16 69.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.266 -0.424 . . . . 16.780000000000001 110.556 179.76 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 69' ' ' MET . . . . . . . . . . . . . 46.9 ttp -63.22 -39.54 94.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.063 -0.517 . . . . 8.8599999999999994 110.567 179.702 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 24.7 t -72.99 -45.73 53.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 9.1300000000000008 110.661 179.794 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 71' ' ' PHE . . . . . 0.445 ' O ' ' HB2' ' C' ' 75' ' ' LYS . 22.0 t80 -51.37 -72.98 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.95 -0.389 . . . . 19.300000000000001 109.95 179.397 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -44.41 -34.57 2.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 14.99 111.063 179.409 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 73' ' ' THR . . . . . . . . . . . . . 18.0 m -68.21 -73.29 0.15 Allowed 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 116.248 -0.433 . . . . 8.5199999999999996 110.133 179.613 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 74' ' ' LEU . . . . . 0.691 HD12 ' HB2' ' D' ' 62' ' ' GLN . 20.4 mt -51.24 -32.0 22.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.036 -0.529 . . . . 13.460000000000001 111.089 179.864 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' C' C ' 75' ' ' LYS . . . . . 0.445 ' HB2' ' O ' ' C' ' 71' ' ' PHE . 2.2 ttmt -54.73 -61.89 2.02 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.286 -0.416 . . . . 17.440000000000001 110.599 179.766 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' C' C ' 76' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.22 -32.77 72.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 18.98 110.783 179.757 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' C' C ' 77' ' ' LEU . . . . . 0.623 ' C ' HD12 ' C' ' 77' ' ' LEU . 0.6 OUTLIER -66.69 -65.82 0.63 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.074 -0.512 . . . . 21.16 110.465 179.875 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' C' C ' 78' ' ' TYR . . . . . 0.773 ' OH ' HG13 ' B' ' 70' ' ' VAL . 21.1 m-30 -54.42 -26.67 32.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.845 0.355 . . . . 27.960000000000001 110.607 179.589 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 3.5 mttt -66.63 -41.03 88.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.473 . . . . 25.43 110.904 -179.984 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 5.1 ttpt -68.24 -33.73 74.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.426 . . . . 30.629999999999999 110.831 -179.926 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 81' ' ' THR . . . . . 0.408 ' OG1' ' HA ' ' C' ' 78' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.142 -0.481 . . . . 33.670000000000002 110.923 179.806 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 6.4 t70 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.79 0.328 . . . . 31.710000000000001 110.988 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' D' D ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.62 -48.24 81.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 28.350000000000001 111.209 -179.944 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -63.19 -44.2 96.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.295 -0.411 . . . . 32.159999999999997 110.911 179.957 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' D' D ' 57' ' ' ARG . . . . . . . . . . . . . 66.4 mtt-85 -62.1 -37.03 83.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 24.23 110.793 179.878 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' D' D ' 58' ' ' LEU . . . . . 0.776 HD22 HG23 ' B' ' 73' ' ' THR . 36.3 mt -62.96 -53.48 53.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.055 -0.521 . . . . 21.210000000000001 110.773 179.978 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' D' D ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.15 -40.07 57.74 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.976 -0.556 . . . . 20.32 111.004 -179.953 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' D' D ' 60' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -66.15 -34.58 78.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.157 -0.474 . . . . 22.460000000000001 110.589 179.843 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' D' D ' 61' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.7 -42.58 86.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 16.16 110.552 179.667 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' D' D ' 62' ' ' GLN . . . . . 0.983 ' O ' HG23 ' D' ' 66' ' ' VAL . 2.5 mm-40 -72.05 -48.34 45.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.89 -0.595 . . . . 10.039999999999999 111.302 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' D' D ' 63' ' ' SER . . . . . 0.419 ' HB2' ' HG3' ' C' ' 67' ' ' LYS . 1.8 p -51.68 -52.11 50.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.378 -0.374 . . . . 15.17 111.569 -179.294 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' D' D ' 64' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -57.3 -58.4 8.39 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 111.841 0.312 . . . . 13.460000000000001 111.841 -179.25 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' D' D ' 65' ' ' LEU . . . . . 0.528 HD21 ' HA ' ' D' ' 62' ' ' GLN . 1.6 pp -52.32 -32.73 39.36 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.856 -0.338 . . . . 8.6600000000000001 110.919 -179.586 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' D' D ' 66' ' ' VAL . . . . . 0.983 HG23 ' O ' ' D' ' 62' ' ' GLN . 93.7 t -61.15 -52.35 62.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.433 -0.348 . . . . 6.7000000000000002 111.006 179.736 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' D' D ' 67' ' ' LYS . . . . . 0.427 ' O ' ' HB2' ' D' ' 71' ' ' PHE . 7.8 ttmt -52.38 -35.77 52.27 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.294 -0.412 . . . . 6.5700000000000003 110.864 -179.82 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' D' D ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.53 -38.76 87.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.248 -0.433 . . . . 12.140000000000001 111.431 -179.688 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' D' D ' 69' ' ' MET . . . . . 0.685 ' HE1' HG13 ' D' ' 66' ' ' VAL . 2.5 ptt? -68.25 -39.04 82.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.878 0.37 . . . . 11.57 110.99 -179.677 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' D' D ' 70' ' ' VAL . . . . . 0.789 HG13 ' OH ' ' A' ' 78' ' ' TYR . 62.1 t -87.06 -25.04 6.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.175 -0.466 . . . . 12.42 111.661 -179.525 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' D' D ' 71' ' ' PHE . . . . . 0.427 ' HB2' ' O ' ' D' ' 67' ' ' LYS . 10.8 t80 -65.27 -36.94 85.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.836 0.35 . . . . 18.010000000000002 110.441 179.669 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -78.26 -44.32 25.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.115 -0.493 . . . . 25.350000000000001 110.525 179.575 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' D' D ' 73' ' ' THR . . . . . 0.726 HG23 HD22 ' B' ' 58' ' ' LEU . 53.0 m -57.77 -43.04 85.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.28 -0.418 . . . . 25.050000000000001 110.718 179.784 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' D' D ' 74' ' ' LEU . . . . . 0.598 HD13 ' HB2' ' C' ' 62' ' ' GLN . 51.5 mt -64.62 -43.0 95.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.107 -0.497 . . . . 25.43 110.771 -179.966 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' D' D ' 75' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -50.01 -40.7 45.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.277 -0.419 . . . . 25.859999999999999 110.694 179.865 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' D' D ' 76' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -79.99 -31.27 39.78 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.985 -0.552 . . . . 27.850000000000001 110.608 179.787 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' D' D ' 77' ' ' LEU . . . . . 0.599 HD21 HD12 ' B' ' 58' ' ' LEU . 23.8 mt -60.82 -38.24 84.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.044 -0.525 . . . . 28.559999999999999 110.824 179.922 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' D' D ' 78' ' ' TYR . . . . . 0.456 ' CB ' ' HB1' ' C' ' 55' ' ' ALA . 4.4 m-85 -84.34 -37.07 22.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 32.229999999999997 110.822 179.828 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' D' D ' 79' ' ' LYS . . . . . . . . . . . . . 2.4 mmmt . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.073 -0.512 . . . . 44.109999999999999 111.142 179.998 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.123 0 CA-C-O 120.803 0.335 . . . . 34.939999999999998 110.519 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 50.0 tt0 -66.3 -50.33 64.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.102 -0.499 . . . . 30.149999999999999 110.338 179.504 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.442 ' HB3' ' NH1' ' A' ' 57' ' ' ARG . 3.4 mtm105 -61.5 -47.3 86.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.891 -0.595 . . . . 37.189999999999998 110.089 179.265 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.8 mt -51.79 -51.59 55.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.688 -0.687 . . . . 26.329999999999998 110.697 179.586 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -50.16 -39.03 42.25 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.053 -0.521 . . . . 20.370000000000001 110.892 179.783 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -69.64 -27.25 64.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.963 -0.562 . . . . 19.920000000000002 110.543 179.657 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -77.42 -50.51 12.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.07 -0.513 . . . . 22.140000000000001 110.605 179.831 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.704 ' HA ' HD12 ' A' ' 65' ' ' LEU . 1.0 OUTLIER -60.4 -43.03 97.09 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.965 -0.561 . . . . 25.030000000000001 110.537 179.714 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 66.8 p -60.86 -37.4 81.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.117 -0.492 . . . . 17.850000000000001 110.653 179.627 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -58.18 -42.65 86.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 25.23 110.613 179.749 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.704 HD12 ' HA ' ' A' ' 62' ' ' GLN . 6.9 mt -59.91 -39.68 86.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 17.98 110.541 179.756 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 20.0 t -66.28 -43.83 91.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.086 -0.506 . . . . 14.99 110.932 179.657 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.404 ' HG3' ' HB2' ' B' ' 63' ' ' SER . 43.9 tttt -58.12 -44.64 87.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.962 -0.563 . . . . 10.73 110.66 179.931 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 4.1 mtpt -59.69 -38.46 81.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.944 0.402 . . . . 12.279999999999999 110.714 179.822 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 47.4 ttp -66.83 -44.61 80.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.094 -0.503 . . . . 7.8300000000000001 110.698 179.747 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 71.1 t -71.44 -41.24 73.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.052 -0.522 . . . . 9.2899999999999991 110.937 179.983 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.489 ' CZ ' ' HD3' ' A' ' 75' ' ' LYS . 39.8 t80 -56.35 -58.29 8.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.792 0.33 . . . . 12.199999999999999 110.234 179.817 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -54.02 -44.4 70.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 11.390000000000001 110.462 179.677 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 19.9 m -64.01 -69.74 0.26 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.227 -0.442 . . . . 12.06 110.346 179.572 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.76 HD12 ' HB2' ' B' ' 62' ' ' GLN . 10.7 mt -50.69 -38.15 45.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.103 -0.499 . . . . 13.85 111.111 -179.952 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.489 ' HD3' ' CZ ' ' A' ' 71' ' ' PHE . 6.8 ttpp -53.04 -69.51 0.11 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.064 0.459 . . . . 13.81 110.385 179.63 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -63.57 -28.58 70.03 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.637 -0.71 . . . . 17.34 111.135 179.965 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.564 ' O ' HD12 ' A' ' 77' ' ' LEU . 1.9 tp -65.48 -56.22 13.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.488 -0.324 . . . . 21.449999999999999 110.91 -179.905 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.662 ' OH ' HG13 ' D' ' 70' ' ' VAL . 23.2 m-30 -63.18 -23.85 67.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.325 -0.398 . . . . 24.789999999999999 110.899 179.908 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.37 -29.43 62.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.349 -0.387 . . . . 26.73 110.851 179.944 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 4.1 mttt -78.69 -25.75 44.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 27.66 111.089 -179.802 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.326 -0.397 . . . . 33.350000000000001 111.013 -179.994 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 14.1 p-10 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.891 0.377 . . . . 33.93 110.776 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -54.0 -45.78 71.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.948 -0.569 . . . . 30.530000000000001 110.954 179.879 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.01 -51.0 52.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.026 -0.534 . . . . 30.07 110.579 179.782 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 51.1 mtp180 -54.94 -34.48 63.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 27.68 110.552 179.738 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 58' ' ' LEU . . . . . 0.985 HD22 HG23 ' D' ' 73' ' ' THR . 6.4 mt -66.47 -60.72 2.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.074 -0.512 . . . . 22.66 110.586 179.753 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -47.28 -33.34 5.51 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.965 -0.561 . . . . 19.539999999999999 110.873 179.792 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -64.44 -42.14 96.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.088 -0.505 . . . . 18.899999999999999 110.35 179.483 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -67.55 -37.23 82.39 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.985 -0.552 . . . . 11.43 110.359 179.509 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 62' ' ' GLN . . . . . 0.76 ' HB2' HD12 ' A' ' 74' ' ' LEU . 5.6 mm-40 -67.67 -43.07 81.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.915 -0.584 . . . . 11.16 110.382 179.505 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 63' ' ' SER . . . . . 0.404 ' HB2' ' HG3' ' A' ' 67' ' ' LYS . 0.1 OUTLIER -55.58 -64.09 0.96 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.949 -0.569 . . . . 16.710000000000001 110.884 179.972 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -49.44 -30.24 7.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.102 -0.499 . . . . 18.300000000000001 110.979 -179.898 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.11 -38.99 72.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 10.199999999999999 110.842 179.897 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 66' ' ' VAL . . . . . 0.746 HG23 ' O ' ' B' ' 62' ' ' GLN . 2.2 t -68.68 -39.33 80.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.139 -0.482 . . . . 8.2400000000000002 110.988 -179.882 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 67' ' ' LYS . . . . . 0.417 ' O ' ' N ' ' B' ' 71' ' ' PHE . 13.9 ttpt -57.24 -58.81 6.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.049 -0.523 . . . . 14.380000000000001 110.981 -179.898 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -52.37 -33.34 42.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.36 -0.382 . . . . 10.07 110.731 179.962 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 69' ' ' MET . . . . . 0.468 ' HE2' HG13 ' B' ' 66' ' ' VAL . 54.7 ttp -67.8 -54.16 21.35 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.251 -0.431 . . . . 10.960000000000001 110.935 179.953 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.741 HG13 ' OH ' ' C' ' 78' ' ' TYR . 35.6 t -75.37 -20.56 16.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.276 -0.42 . . . . 10.93 111.39 -179.859 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.417 ' N ' ' O ' ' B' ' 67' ' ' LYS . 17.6 t80 -61.99 -45.95 91.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.921 0.391 . . . . 18.170000000000002 110.478 179.76 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -69.49 -45.5 68.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.028 -0.533 . . . . 24.32 110.618 179.709 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 73' ' ' THR . . . . . 0.961 HG23 HD22 ' D' ' 58' ' ' LEU . 52.5 m -54.57 -48.95 71.47 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.197 -0.456 . . . . 22.98 110.792 179.848 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 74' ' ' LEU . . . . . 0.455 ' HA ' HD12 ' B' ' 77' ' ' LEU . 61.7 mt -59.48 -42.13 91.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.44 . . . . 27.02 110.86 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 3.1 tttp -50.18 -44.49 52.88 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.163 -0.471 . . . . 30.77 110.818 179.946 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 76' ' ' ASP . . . . . 0.404 ' HA ' ' CG ' ' B' ' 79' ' ' LYS . 0.2 OUTLIER -76.45 -26.31 55.29 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.963 -0.562 . . . . 28.41 110.749 179.869 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.504 HD11 ' CG ' ' C' ' 78' ' ' TYR . 19.6 mt -67.42 -34.92 78.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 27.859999999999999 110.837 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -77.39 -58.71 3.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 33.920000000000002 110.867 -179.972 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 79' ' ' LYS . . . . . 0.404 ' CG ' ' HA ' ' B' ' 76' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.33 -0.396 . . . . 41.659999999999997 110.741 179.924 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.145 0 CA-C-O 120.925 0.393 . . . . 30.559999999999999 110.533 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 49.9 tt0 -66.34 -50.32 63.97 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.104 -0.498 . . . . 26.960000000000001 110.347 179.454 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' C' C ' 57' ' ' ARG . . . . . 0.437 ' NH1' ' HB3' ' C' ' 57' ' ' ARG . 3.5 mtm105 -61.56 -47.11 86.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.985 -0.552 . . . . 27.710000000000001 110.101 179.266 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 6.8 mt -51.84 -51.74 54.43 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.721 -0.672 . . . . 29.399999999999999 110.585 179.565 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -50.11 -38.94 41.27 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.115 -0.493 . . . . 24.559999999999999 110.833 179.892 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -69.77 -27.37 64.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.99 -0.55 . . . . 27.210000000000001 110.477 179.702 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -77.19 -50.59 12.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.029 -0.532 . . . . 27.010000000000002 110.642 179.764 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' C' C ' 62' ' ' GLN . . . . . 0.689 ' HA ' HD12 ' C' ' 65' ' ' LEU . 1.0 OUTLIER -60.25 -43.19 96.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.923 -0.58 . . . . 19.09 110.62 179.671 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' C' C ' 63' ' ' SER . . . . . . . . . . . . . 64.3 p -60.77 -37.38 81.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.027 -0.533 . . . . 16.140000000000001 110.536 179.705 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -58.19 -42.83 86.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 15.789999999999999 110.602 179.761 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' C' C ' 65' ' ' LEU . . . . . 0.689 HD12 ' HA ' ' C' ' 62' ' ' GLN . 7.0 mt -59.78 -39.76 86.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 17.739999999999998 110.503 179.72 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' C' C ' 66' ' ' VAL . . . . . . . . . . . . . 19.5 t -66.27 -43.71 91.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 9.9299999999999997 110.793 179.611 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' C' C ' 67' ' ' LYS . . . . . 0.444 ' HG3' ' CB ' ' D' ' 63' ' ' SER . 42.2 tttt -57.71 -45.23 86.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.078 -0.51 . . . . 16.969999999999999 110.681 179.925 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' C' C ' 68' ' ' LYS . . . . . . . . . . . . . 4.1 mtpt -59.7 -38.26 81.11 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.221 -0.445 . . . . 22.420000000000002 110.682 -179.959 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' C' C ' 69' ' ' MET . . . . . . . . . . . . . 47.6 ttp -66.97 -44.53 80.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.476 . . . . 8.8499999999999996 110.719 179.763 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 68.1 t -71.38 -41.02 73.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.069 -0.514 . . . . 6.4100000000000001 111.121 179.919 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' C' C ' 71' ' ' PHE . . . . . 0.488 ' CZ ' ' HD3' ' C' ' 75' ' ' LYS . 40.1 t80 -56.72 -58.35 8.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.755 0.312 . . . . 17.41 110.24 179.686 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -53.86 -44.34 70.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 11.5 110.525 179.648 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' C' C ' 73' ' ' THR . . . . . . . . . . . . . 19.9 m -64.23 -69.67 0.27 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.136 -0.484 . . . . 11.539999999999999 110.312 179.605 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' C' C ' 74' ' ' LEU . . . . . 0.73 HD12 ' HB2' ' D' ' 62' ' ' GLN . 10.8 mt -50.59 -38.4 45.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 18.469999999999999 111.068 -179.956 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' C' C ' 75' ' ' LYS . . . . . 0.488 ' HD3' ' CZ ' ' C' ' 71' ' ' PHE . 6.9 ttpp -52.83 -69.7 0.11 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.104 0.478 . . . . 20.050000000000001 110.383 179.603 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' C' C ' 76' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -63.51 -28.52 70.01 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.685 -0.689 . . . . 16.32 111.171 -179.988 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' C' C ' 77' ' ' LEU . . . . . 0.551 ' O ' HD12 ' C' ' 77' ' ' LEU . 2.0 tp -65.66 -56.31 12.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.418 -0.356 . . . . 19.41 110.788 -179.822 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' C' C ' 78' ' ' TYR . . . . . 0.741 ' OH ' HG13 ' B' ' 70' ' ' VAL . 23.0 m-30 -63.07 -23.81 67.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.366 -0.379 . . . . 26.300000000000001 110.974 179.853 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.33 -29.61 62.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.315 -0.402 . . . . 27.289999999999999 110.781 179.922 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 4.3 mttt -78.44 -25.69 46.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.346 -0.388 . . . . 30.469999999999999 111.16 -179.817 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' C' C ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.271 -0.422 . . . . 34.340000000000003 110.936 -179.85 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 14.0 p-10 . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.954 0.406 . . . . 33.5 110.753 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' D' D ' 55' ' ' ALA . . . . . . . . . . . . . . . -54.15 -45.65 72.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.065 -0.516 . . . . 32.460000000000001 110.892 179.841 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.94 -50.9 53.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.088 -0.505 . . . . 30.09 110.681 179.738 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' D' D ' 57' ' ' ARG . . . . . . . . . . . . . 50.9 mtp180 -55.16 -34.44 63.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.063 -0.517 . . . . 23.27 110.564 179.756 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' D' D ' 58' ' ' LEU . . . . . 0.961 HD22 HG23 ' B' ' 73' ' ' THR . 6.3 mt -66.45 -60.54 2.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.971 -0.559 . . . . 18.609999999999999 110.645 179.693 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' D' D ' 59' ' ' ALA . . . . . . . . . . . . . . . -47.45 -33.37 6.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.878 -0.601 . . . . 18.559999999999999 110.938 179.829 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' D' D ' 60' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -64.4 -41.87 96.42 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.121 -0.491 . . . . 24.690000000000001 110.311 179.454 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' D' D ' 61' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -67.8 -37.31 81.84 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.06 -0.518 . . . . 17.190000000000001 110.377 179.44 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' D' D ' 62' ' ' GLN . . . . . 0.767 ' O ' HG23 ' D' ' 66' ' ' VAL . 5.6 mm-40 -67.66 -42.58 81.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.958 -0.564 . . . . 15.18 110.372 179.496 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' D' D ' 63' ' ' SER . . . . . 0.444 ' CB ' ' HG3' ' C' ' 67' ' ' LYS . 0.1 OUTLIER -56.09 -64.4 0.87 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.878 -0.601 . . . . 12.630000000000001 110.956 179.84 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' D' D ' 64' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -49.09 -30.34 6.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 7.5599999999999996 110.964 -179.997 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' D' D ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.01 -39.42 72.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.488 . . . . 5.4900000000000002 110.811 179.863 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' D' D ' 66' ' ' VAL . . . . . 0.767 HG23 ' O ' ' D' ' 62' ' ' GLN . 2.2 t -68.43 -38.79 79.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.249 -0.432 . . . . 6.0899999999999999 111.104 -179.943 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' D' D ' 67' ' ' LYS . . . . . 0.4 ' O ' ' N ' ' D' ' 71' ' ' PHE . 14.0 ttpt -57.75 -58.81 6.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.175 -0.466 . . . . 15.970000000000001 110.922 -179.86 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' D' D ' 68' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -52.15 -33.47 40.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.45 -0.341 . . . . 18.800000000000001 110.743 179.95 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' D' D ' 69' ' ' MET . . . . . 0.497 ' HE2' HG13 ' D' ' 66' ' ' VAL . 54.8 ttp -67.69 -54.35 20.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 13.1 110.991 179.959 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' D' D ' 70' ' ' VAL . . . . . 0.662 HG13 ' OH ' ' A' ' 78' ' ' TYR . 37.3 t -75.03 -20.79 16.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 15.5 111.401 -179.922 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' D' D ' 71' ' ' PHE . . . . . 0.4 ' N ' ' O ' ' D' ' 67' ' ' LYS . 17.5 t80 -61.85 -46.0 91.34 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.918 0.389 . . . . 25.02 110.512 179.753 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -69.4 -45.56 68.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.056 -0.52 . . . . 29.030000000000001 110.558 179.735 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' D' D ' 73' ' ' THR . . . . . 0.985 HG23 HD22 ' B' ' 58' ' ' LEU . 53.3 m -54.58 -49.1 71.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 22.100000000000001 110.778 179.875 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' D' D ' 74' ' ' LEU . . . . . 0.457 ' HA ' HD12 ' D' ' 77' ' ' LEU . 60.8 mt -59.42 -41.99 90.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 20.989999999999998 110.857 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' D' D ' 75' ' ' LYS . . . . . . . . . . . . . 3.0 tttp -50.32 -44.37 54.18 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.23 -0.441 . . . . 26.690000000000001 110.807 179.894 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' D' D ' 76' ' ' ASP . . . . . 0.405 ' HA ' ' CG ' ' D' ' 79' ' ' LYS . 0.2 OUTLIER -76.53 -26.27 55.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.057 -0.519 . . . . 30.949999999999999 110.684 179.879 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' D' D ' 77' ' ' LEU . . . . . 0.457 HD12 ' HA ' ' D' ' 74' ' ' LEU . 19.6 mt -67.43 -34.78 77.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.064 -0.517 . . . . 30.09 110.93 179.978 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' D' D ' 78' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -77.68 -58.17 3.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 31.949999999999999 111.012 -179.996 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' D' D ' 79' ' ' LYS . . . . . 0.405 ' CG ' ' HA ' ' D' ' 76' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.326 -0.397 . . . . 40.780000000000001 110.726 179.927 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.132 0 CA-C-O 120.897 0.38 . . . . 34.409999999999997 110.583 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.28 -55.98 25.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.077 -0.51 . . . . 29.68 110.38 179.431 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 54.7 ttp180 -64.62 -49.07 72.51 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.866 -0.607 . . . . 36.68 110.257 179.451 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.631 ' C ' HD13 ' A' ' 58' ' ' LEU . 1.3 tm? -54.78 -51.24 66.36 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.815 -0.629 . . . . 31.280000000000001 110.298 179.435 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.522 ' N ' HD13 ' A' ' 58' ' ' LEU . . . -58.25 -44.03 88.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.989 -0.55 . . . . 24.309999999999999 110.862 179.541 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -52.18 -37.35 54.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.048 -0.524 . . . . 22.739999999999998 110.763 179.897 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -72.37 -41.5 66.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 22.510000000000002 110.847 179.929 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.573 ' O ' HG23 ' A' ' 66' ' ' VAL . 69.9 mm-40 -63.21 -39.83 95.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.116 -0.493 . . . . 19.809999999999999 110.619 179.756 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 14.9 p -71.08 -33.0 69.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.087 -0.506 . . . . 18.32 110.628 179.772 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -69.65 -34.14 73.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 23.780000000000001 110.699 179.811 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.2 mt -70.3 -40.53 74.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.055 -0.52 . . . . 19.82 110.768 179.884 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.573 HG23 ' O ' ' A' ' 62' ' ' GLN . 45.4 t -69.2 -40.58 80.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.135 -0.484 . . . . 12.99 110.874 179.745 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 24.1 tttt -64.19 -43.71 94.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.996 -0.547 . . . . 8.9299999999999997 110.719 179.844 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 21.3 mtpt -60.82 -38.35 85.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 19.09 110.558 179.682 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 20.7 ttp -65.59 -43.44 89.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.086 -0.506 . . . . 9.6799999999999997 110.686 179.815 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 78.6 t -71.28 -42.71 74.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.109 -0.496 . . . . 8.9100000000000001 110.969 179.942 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.436 ' CZ ' ' HD3' ' A' ' 75' ' ' LYS . 10.7 t80 -51.86 -60.48 3.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.819 0.342 . . . . 20.25 110.505 179.738 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -53.35 -47.73 69.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 13.859999999999999 110.665 179.795 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.2 m -60.19 -69.86 0.2 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.362 -0.381 . . . . 8.3699999999999992 110.301 179.65 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.509 HD12 ' HB2' ' B' ' 62' ' ' GLN . 15.2 mt -51.06 -37.2 44.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.082 -0.508 . . . . 14.98 111.112 -179.945 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.436 ' HD3' ' CZ ' ' A' ' 71' ' ' PHE . 14.7 ttpt -55.67 -67.41 0.29 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.127 0.489 . . . . 18.960000000000001 110.135 179.467 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.13 -30.34 71.51 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.561 -0.745 . . . . 19.149999999999999 110.848 179.695 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.602 ' O ' HD12 ' A' ' 77' ' ' LEU . 1.2 tp -65.25 -56.04 14.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.374 -0.375 . . . . 21.030000000000001 110.539 179.947 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 22.5 m-30 -62.17 -26.37 68.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.913 0.387 . . . . 28.170000000000002 110.417 179.454 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.15 -30.08 68.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.009 -0.541 . . . . 26.41 110.708 179.821 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.7 tttt -59.96 -37.97 81.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 31.68 110.732 179.915 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 32.3 p . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 115.975 -0.557 . . . . 34.490000000000002 110.88 179.923 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.813 0.339 . . . . 30.859999999999999 110.921 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -51.09 -40.26 57.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.299 -0.41 . . . . 28.399999999999999 110.872 179.839 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -72.69 -49.72 29.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.014 -0.539 . . . . 30.670000000000002 110.578 179.712 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 31.5 mtt85 -56.15 -36.36 68.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.117 -0.492 . . . . 22.82 110.531 179.803 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 58' ' ' LEU . . . . . 0.782 HD22 HG23 ' D' ' 73' ' ' THR . 51.7 mt -66.68 -62.44 1.45 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.028 -0.533 . . . . 19.68 110.626 179.682 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -47.92 -29.36 3.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.78 -0.645 . . . . 19.469999999999999 111.054 179.896 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 62.8 t0 -79.24 -33.05 43.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 23.02 110.571 179.781 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 61' ' ' GLU . . . . . 0.402 ' O ' ' HG2' ' B' ' 64' ' ' GLU . 0.2 OUTLIER -70.02 -41.0 74.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 17.390000000000001 110.212 179.448 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' B' B ' 62' ' ' GLN . . . . . 0.509 ' HB2' HD12 ' A' ' 74' ' ' LEU . 2.0 mm-40 -73.67 -47.64 38.27 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.819 -0.628 . . . . 10.31 110.485 179.736 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 48.9 p -52.11 -55.65 19.51 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.316 -0.402 . . . . 14.24 110.549 179.91 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 64' ' ' GLU . . . . . 0.437 ' HG3' ' N ' ' B' ' 65' ' ' LEU . 10.3 pt-20 -52.71 -36.81 58.02 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 116.226 -0.443 . . . . 10.279999999999999 110.201 179.383 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 65' ' ' LEU . . . . . 0.437 ' N ' ' HG3' ' B' ' 64' ' ' GLU . 0.2 OUTLIER -62.74 -37.8 88.02 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.826 -0.624 . . . . 7.7699999999999996 110.489 179.412 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' B' B ' 66' ' ' VAL . . . . . 0.643 HG13 ' CE ' ' B' ' 69' ' ' MET . 23.3 t -68.52 -36.75 76.05 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.145 -0.479 . . . . 6.5300000000000002 111.446 -179.958 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 67' ' ' LYS . . . . . 0.432 ' O ' ' CB ' ' B' ' 71' ' ' PHE . 3.4 tttm -68.97 -33.91 74.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.329 -0.396 . . . . 6.25 110.905 -179.796 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 9.9 mttp -75.4 -38.68 59.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.256 -0.429 . . . . 14.970000000000001 110.857 179.981 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 69' ' ' MET . . . . . 0.643 ' CE ' HG13 ' B' ' 66' ' ' VAL . 18.5 ptt? -76.2 -33.88 59.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.301 -0.409 . . . . 12.07 110.901 179.889 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.619 HG23 ' O ' ' B' ' 66' ' ' VAL . 68.7 t -84.48 -25.69 7.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 13.359999999999999 111.317 -179.798 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.432 ' CB ' ' O ' ' B' ' 67' ' ' LYS . 21.2 t80 -71.67 -34.58 69.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.888 0.375 . . . . 20.039999999999999 110.296 179.536 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.35 -46.66 47.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.987 -0.551 . . . . 26.309999999999999 110.555 179.621 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 73' ' ' THR . . . . . 0.736 HG23 HD22 ' D' ' 58' ' ' LEU . 95.1 m -52.65 -52.21 56.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 25.050000000000001 110.6 179.772 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 74' ' ' LEU . . . . . 0.63 HD23 HD12 ' B' ' 77' ' ' LEU . 48.7 mt -56.73 -42.52 79.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 24.0 110.645 179.728 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 3.4 tptp -52.64 -44.03 65.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.234 -0.439 . . . . 25.09 110.35 179.549 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -74.37 -29.47 61.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.825 -0.625 . . . . 28.390000000000001 110.407 179.454 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.63 HD12 HD23 ' B' ' 74' ' ' LEU . 27.5 mt -63.64 -52.0 62.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.883 -0.599 . . . . 29.77 110.651 179.845 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -73.34 -37.37 66.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 31.870000000000001 110.605 179.761 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 27.3 ttpp . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 115.964 -0.562 . . . . 42.850000000000001 110.886 179.958 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.846 0.355 . . . . 31.699999999999999 110.524 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.3 -55.88 26.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.025 -0.534 . . . . 27.859999999999999 110.375 179.546 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' C' C ' 57' ' ' ARG . . . . . . . . . . . . . 54.7 ttp180 -64.69 -49.14 72.08 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.904 -0.589 . . . . 31.960000000000001 110.231 179.477 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' C' C ' 58' ' ' LEU . . . . . 0.621 ' C ' HD13 ' C' ' 58' ' ' LEU . 1.3 tm? -54.71 -51.33 65.93 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.767 -0.651 . . . . 24.949999999999999 110.251 179.39 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' C' C ' 59' ' ' ALA . . . . . 0.513 ' N ' HD13 ' C' ' 58' ' ' LEU . . . -58.25 -43.89 88.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.106 -0.497 . . . . 22.719999999999999 110.861 179.584 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -52.38 -37.08 55.5 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.024 -0.534 . . . . 25.199999999999999 110.796 179.871 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -72.53 -41.65 65.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.274 -0.421 . . . . 26.77 110.772 179.869 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' C' C ' 62' ' ' GLN . . . . . 0.56 ' O ' HG23 ' C' ' 66' ' ' VAL . 70.5 mm-40 -62.99 -39.83 95.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.093 -0.503 . . . . 23.289999999999999 110.682 179.727 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' C' C ' 63' ' ' SER . . . . . . . . . . . . . 14.8 p -71.0 -33.05 70.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.062 -0.517 . . . . 16.210000000000001 110.658 179.787 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -69.73 -34.02 73.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.083 -0.508 . . . . 22.219999999999999 110.713 179.836 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' C' C ' 65' ' ' LEU . . . . . . . . . . . . . 1.2 mt -70.25 -40.75 74.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 14.390000000000001 110.69 179.814 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' C' C ' 66' ' ' VAL . . . . . 0.56 HG23 ' O ' ' C' ' 62' ' ' GLN . 45.7 t -68.96 -40.92 81.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 12.18 110.873 179.771 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' C' C ' 67' ' ' LYS . . . . . . . . . . . . . 24.1 tttt -63.99 -43.71 94.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.994 -0.548 . . . . 19.010000000000002 110.713 179.907 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' C' C ' 68' ' ' LYS . . . . . . . . . . . . . 21.1 mtpt -60.87 -38.25 84.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 16.559999999999999 110.581 179.737 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' C' C ' 69' ' ' MET . . . . . . . . . . . . . 20.8 ttp -65.73 -43.29 89.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.05 -0.523 . . . . 6.8200000000000003 110.704 179.764 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 77.8 t -71.33 -42.9 74.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 6.5 110.872 179.863 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' C' C ' 71' ' ' PHE . . . . . 0.438 ' CZ ' ' HD3' ' C' ' 75' ' ' LYS . 10.6 t80 -51.55 -60.65 2.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.784 0.325 . . . . 8.5500000000000007 110.475 179.671 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -53.34 -47.35 69.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 10.09 110.671 179.918 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' C' C ' 73' ' ' THR . . . . . . . . . . . . . 18.1 m -60.7 -69.76 0.21 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.318 -0.401 . . . . 14.779999999999999 110.277 179.742 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' C' C ' 74' ' ' LEU . . . . . 0.514 HD12 ' HB2' ' D' ' 62' ' ' GLN . 15.5 mt -51.14 -36.98 43.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.059 -0.519 . . . . 17.399999999999999 111.134 -179.965 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' C' C ' 75' ' ' LYS . . . . . 0.438 ' HD3' ' CZ ' ' C' ' 71' ' ' PHE . 14.8 ttpt -55.91 -67.43 0.29 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.128 0.49 . . . . 17.460000000000001 110.073 179.442 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' C' C ' 76' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.03 -30.45 71.61 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.541 -0.754 . . . . 14.76 110.903 179.676 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' C' C ' 77' ' ' LEU . . . . . 0.608 ' O ' HD12 ' C' ' 77' ' ' LEU . 1.3 tp -65.16 -55.97 15.58 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.407 -0.36 . . . . 20.289999999999999 110.564 179.968 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' C' C ' 78' ' ' TYR . . . . . . . . . . . . . 22.4 m-30 -62.29 -26.35 68.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.291 -0.413 . . . . 23.93 110.369 179.501 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.13 -29.9 68.05 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.026 -0.534 . . . . 27.93 110.743 179.893 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 3.7 tttt -60.11 -37.87 81.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.477 . . . . 27.41 110.707 179.878 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' C' C ' 81' ' ' THR . . . . . 0.414 HG21 HD13 ' B' ' 77' ' ' LEU . 31.5 p . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.027 -0.533 . . . . 32.990000000000002 110.893 179.952 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.817 0.341 . . . . 34.009999999999998 110.975 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' D' D ' 55' ' ' ALA . . . . . . . . . . . . . . . -51.01 -40.61 58.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.303 -0.408 . . . . 33.039999999999999 110.772 179.874 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -72.46 -49.81 30.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.103 -0.499 . . . . 29.309999999999999 110.581 179.769 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' D' D ' 57' ' ' ARG . . . . . . . . . . . . . 31.3 mtt85 -56.01 -36.56 68.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.468 . . . . 32.140000000000001 110.548 179.698 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' D' D ' 58' ' ' LEU . . . . . 0.736 HD22 HG23 ' B' ' 73' ' ' THR . 50.7 mt -66.65 -62.1 1.63 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 20.109999999999999 110.651 179.764 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' D' D ' 59' ' ' ALA . . . . . . . . . . . . . . . -48.15 -29.26 3.52 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.845 -0.616 . . . . 16.920000000000002 111.059 179.891 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' D' D ' 60' ' ' ASP . . . . . . . . . . . . . 62.5 t0 -79.39 -33.01 43.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.084 -0.507 . . . . 18.260000000000002 110.526 179.777 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' D' D ' 61' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.81 -41.17 75.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.104 -0.498 . . . . 12.800000000000001 110.27 179.351 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' D' D ' 62' ' ' GLN . . . . . 0.514 ' HB2' HD12 ' C' ' 74' ' ' LEU . 2.1 mm-40 -73.46 -47.54 40.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.734 -0.666 . . . . 12.74 110.603 179.671 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' D' D ' 63' ' ' SER . . . . . . . . . . . . . 50.5 p -52.31 -55.69 19.74 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.274 -0.421 . . . . 14.77 110.529 -179.992 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' D' D ' 64' ' ' GLU . . . . . 0.432 ' HG3' ' N ' ' D' ' 65' ' ' LEU . 10.2 pt-20 -52.69 -36.68 57.62 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 116.141 -0.481 . . . . 15.08 110.124 179.473 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' D' D ' 65' ' ' LEU . . . . . 0.432 ' N ' ' HG3' ' D' ' 64' ' ' GLU . 0.2 OUTLIER -62.77 -37.88 88.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.869 -0.605 . . . . 7.2599999999999998 110.43 179.399 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' D' D ' 66' ' ' VAL . . . . . 0.651 HG13 ' CE ' ' D' ' 69' ' ' MET . 22.3 t -68.54 -36.72 75.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.122 -0.49 . . . . 8.5099999999999998 111.448 -179.971 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' D' D ' 67' ' ' LYS . . . . . 0.423 ' O ' ' CB ' ' D' ' 71' ' ' PHE . 3.5 tttm -68.95 -33.9 74.47 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.357 -0.383 . . . . 20.210000000000001 110.919 -179.796 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' D' D ' 68' ' ' LYS . . . . . . . . . . . . . 10.0 mttp -75.27 -38.54 60.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.319 -0.4 . . . . 12.130000000000001 110.944 179.958 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' D' D ' 69' ' ' MET . . . . . 0.651 ' CE ' HG13 ' D' ' 66' ' ' VAL . 18.6 ptt? -76.44 -33.63 58.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.32 -0.4 . . . . 11.82 110.823 179.915 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' D' D ' 70' ' ' VAL . . . . . 0.615 HG23 ' O ' ' D' ' 66' ' ' VAL . 67.8 t -84.65 -25.83 7.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.188 -0.46 . . . . 13.869999999999999 111.244 -179.824 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' D' D ' 71' ' ' PHE . . . . . 0.423 ' CB ' ' O ' ' D' ' 67' ' ' LYS . 21.1 t80 -71.32 -34.69 70.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.988 0.423 . . . . 21.219999999999999 110.413 179.437 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.31 -47.02 46.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.961 -0.563 . . . . 26.359999999999999 110.544 179.642 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' D' D ' 73' ' ' THR . . . . . 0.782 HG23 HD22 ' B' ' 58' ' ' LEU . 96.2 m -52.36 -52.3 54.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 20.32 110.574 179.735 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' D' D ' 74' ' ' LEU . . . . . 0.624 HD23 HD12 ' D' ' 77' ' ' LEU . 48.8 mt -56.53 -42.75 78.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 24.879999999999999 110.661 179.74 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' D' D ' 75' ' ' LYS . . . . . . . . . . . . . 3.3 tptp -52.4 -44.24 65.23 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.091 0.472 . . . . 31.129999999999999 110.319 179.572 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' D' D ' 76' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -74.34 -29.33 61.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.814 -0.63 . . . . 31.379999999999999 110.487 179.544 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' D' D ' 77' ' ' LEU . . . . . 0.624 HD12 HD23 ' D' ' 74' ' ' LEU . 27.4 mt -63.6 -52.09 62.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.89 -0.596 . . . . 30.5 110.64 179.787 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' D' D ' 78' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -73.5 -37.04 65.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.034 -0.53 . . . . 35.299999999999997 110.635 179.79 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' D' D ' 79' ' ' LYS . . . . . . . . . . . . . 27.4 ttpp . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 115.945 -0.571 . . . . 39.420000000000002 110.902 -179.999 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.237 0 CA-C-O 120.897 0.379 . . . . 35.68 110.65 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -63.23 -44.03 96.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.043 -0.526 . . . . 30.760000000000002 110.317 179.486 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 41.9 ttm-85 -67.72 -42.77 81.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.834 -0.621 . . . . 37.450000000000003 110.348 179.493 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.574 HD13 ' OH ' ' B' ' 78' ' ' TYR . 12.0 mt -57.91 -48.52 79.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.805 -0.634 . . . . 27.609999999999999 110.648 179.655 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.92 -41.57 62.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.094 -0.503 . . . . 20.66 110.78 179.883 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -72.56 -31.54 65.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.122 -0.49 . . . . 19.289999999999999 110.589 179.85 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.96 -51.68 30.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 21.57 110.76 179.771 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.699 ' HA ' HD12 ' A' ' 65' ' ' LEU . 47.7 mm-40 -58.2 -44.64 88.22 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.989 -0.55 . . . . 24.390000000000001 110.664 179.778 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.3 p -62.76 -35.42 79.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.488 . . . . 18.32 110.761 179.849 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -57.64 -41.94 82.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.079 -0.509 . . . . 26.789999999999999 110.723 179.955 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.699 HD12 ' HA ' ' A' ' 62' ' ' GLN . 2.1 mt -64.41 -39.17 93.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.264 -0.426 . . . . 18.800000000000001 110.615 179.797 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 49.1 t -69.5 -45.91 77.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 15.119999999999999 111.012 179.82 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 17.0 tttm -59.24 -57.68 11.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.29 -0.414 . . . . 9.5600000000000005 110.355 179.708 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.71 -31.43 64.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.475 . . . . 13.59 110.213 179.503 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 13.6 tmm? -69.49 -42.7 74.42 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.952 -0.567 . . . . 8.6099999999999994 110.467 179.523 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.407 HG13 ' HG ' ' A' ' 74' ' ' LEU . 44.1 t -69.52 -33.13 55.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.032 -0.531 . . . . 9.2300000000000004 110.575 179.678 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.431 ' O ' ' CB ' ' A' ' 75' ' ' LYS . 10.8 t80 -55.08 -58.39 7.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.338 -0.392 . . . . 14.77 110.344 179.641 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -52.44 -50.92 61.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 13.300000000000001 110.722 179.834 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.8 m -57.17 -71.17 0.1 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.363 -0.38 . . . . 10.789999999999999 110.287 179.702 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.705 HD12 ' HB2' ' B' ' 62' ' ' GLN . 12.9 mt -49.75 -37.36 29.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 13.029999999999999 111.013 -179.925 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.431 ' CB ' ' O ' ' A' ' 71' ' ' PHE . 2.9 ttpt -54.9 -68.75 0.16 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.142 -0.481 . . . . 13.99 110.367 179.406 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.37 -25.04 67.7 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.541 -0.754 . . . . 17.420000000000002 111.016 179.813 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.624 ' C ' HD12 ' A' ' 77' ' ' LEU . 0.7 OUTLIER -71.72 -65.56 0.75 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.311 -0.404 . . . . 21.219999999999999 110.765 -179.917 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.527 ' CD1' HD11 ' D' ' 77' ' ' LEU . 18.9 m-85 -52.5 -32.45 40.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.814 0.34 . . . . 25.780000000000001 110.575 179.714 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 14.8 ttmt -58.77 -35.12 72.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 23.859999999999999 110.577 179.74 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 7.9 ttpt -70.06 -29.06 65.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 28.59 110.731 179.777 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 34.090000000000003 110.97 179.973 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.771 0.32 . . . . 34.009999999999998 110.909 . . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.08 -44.47 95.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.431 . . . . 30.469999999999999 110.942 179.881 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.34 -48.99 71.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.074 -0.512 . . . . 34.530000000000001 110.7 179.806 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 78.9 mtt180 -57.3 -34.24 68.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.106 -0.497 . . . . 28.91 110.761 179.91 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 58' ' ' LEU . . . . . 0.835 HD22 HG23 ' D' ' 73' ' ' THR . 17.2 mt -67.58 -59.4 3.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.079 -0.509 . . . . 22.989999999999998 110.994 -179.91 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -46.36 -34.75 4.83 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.941 -0.572 . . . . 20.239999999999998 111.11 179.967 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -62.33 -48.67 78.82 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.0 -0.545 . . . . 18.399999999999999 110.535 179.746 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 91.9 mt-10 -61.8 -33.38 74.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.1 -0.5 . . . . 12.27 110.556 179.739 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 62' ' ' GLN . . . . . 0.721 ' O ' HG23 ' B' ' 66' ' ' VAL . 6.1 mm-40 -71.95 -49.54 36.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.112 -0.494 . . . . 11.289999999999999 110.549 179.707 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 1.3 m -52.05 -60.26 3.4 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.125 -0.489 . . . . 17.059999999999999 110.763 -179.969 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 26.4 pt-20 -51.08 -35.32 34.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 18.75 110.793 179.888 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.33 -41.16 81.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 10.25 110.697 179.776 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 66' ' ' VAL . . . . . 0.721 HG23 ' O ' ' B' ' 62' ' ' GLN . 17.6 t -64.55 -35.7 75.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.268 -0.424 . . . . 8.4100000000000001 111.107 179.923 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 67' ' ' LYS . . . . . 0.403 ' O ' ' N ' ' B' ' 71' ' ' PHE . 11.8 tttt -63.05 -53.11 58.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 13.58 110.922 -179.901 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.11 -30.68 64.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.896 0.379 . . . . 8.6099999999999994 110.601 179.928 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 69' ' ' MET . . . . . . . . . . . . . 49.9 ttp -71.82 -53.99 11.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.04 -0.527 . . . . 10.84 110.805 179.86 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.605 HG13 ' OH ' ' C' ' 78' ' ' TYR . 61.0 t -74.55 -20.65 17.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 10.42 111.253 -179.974 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.403 ' N ' ' O ' ' B' ' 67' ' ' LYS . 21.9 t80 -65.21 -49.38 69.93 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.44 -0.345 . . . . 17.699999999999999 110.623 179.777 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -65.05 -41.2 95.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 23.739999999999998 110.65 179.737 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 73' ' ' THR . . . . . 0.848 HG23 HD22 ' D' ' 58' ' ' LEU . 96.0 m -58.19 -58.45 8.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 23.920000000000002 110.847 179.883 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 74' ' ' LEU . . . . . 0.572 ' HA ' HD12 ' B' ' 77' ' ' LEU . 30.0 mt -51.63 -42.08 61.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 26.920000000000002 110.934 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -50.46 -48.48 56.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.983 0.42 . . . . 27.949999999999999 110.786 179.864 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.57 -32.11 67.71 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.927 -0.578 . . . . 28.210000000000001 110.616 179.695 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.572 HD12 ' HA ' ' B' ' 74' ' ' LEU . 20.3 mt -58.5 -39.67 80.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.015 -0.539 . . . . 28.370000000000001 110.734 179.916 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 78' ' ' TYR . . . . . 0.574 ' OH ' HD13 ' A' ' 58' ' ' LEU . 26.5 m-85 -85.01 -42.78 14.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 34.130000000000003 110.716 179.81 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 31.6 ttpt . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.046 -0.525 . . . . 41.93 110.945 179.963 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.195 0 CA-C-O 120.874 0.368 . . . . 30.23 110.572 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -63.36 -43.91 96.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.068 -0.514 . . . . 28.09 110.32 179.506 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 57' ' ' ARG . . . . . . . . . . . . . 42.6 ttm-85 -67.9 -42.73 80.7 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.852 -0.613 . . . . 26.82 110.326 179.472 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 58' ' ' LEU . . . . . 0.592 HD13 ' OH ' ' D' ' 78' ' ' TYR . 12.1 mt -57.82 -48.55 79.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.805 -0.634 . . . . 28.219999999999999 110.648 179.552 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.94 -41.38 61.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.026 -0.534 . . . . 24.18 110.874 179.887 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -72.82 -31.4 64.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.123 -0.489 . . . . 26.690000000000001 110.571 179.84 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.97 -51.82 29.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 27.039999999999999 110.686 179.778 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' C' C ' 62' ' ' GLN . . . . . 0.703 ' HA ' HD12 ' C' ' 65' ' ' LEU . 47.6 mm-40 -58.14 -44.48 87.84 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.95 -0.568 . . . . 19.210000000000001 110.748 179.795 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' C' C ' 63' ' ' SER . . . . . . . . . . . . . 3.3 p -63.02 -35.35 79.93 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.008 -0.542 . . . . 15.82 110.702 179.91 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -57.52 -41.95 81.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 18.43 110.81 179.857 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 65' ' ' LEU . . . . . 0.703 HD12 ' HA ' ' C' ' 62' ' ' GLN . 2.1 mt -64.47 -39.08 93.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 16.789999999999999 110.619 179.784 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' C' C ' 66' ' ' VAL . . . . . . . . . . . . . 50.9 t -69.5 -45.87 77.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 9.9600000000000009 110.967 179.842 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 67' ' ' LYS . . . . . . . . . . . . . 17.2 tttm -59.28 -57.93 10.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.213 -0.449 . . . . 18.309999999999999 110.416 179.626 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.54 -31.46 64.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 20.100000000000001 110.277 179.489 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' C' C ' 69' ' ' MET . . . . . . . . . . . . . 13.6 tmm? -69.37 -42.62 74.94 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.994 -0.548 . . . . 8.9700000000000006 110.528 179.52 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 70' ' ' VAL . . . . . 0.406 HG13 ' HG ' ' C' ' 74' ' ' LEU . 43.4 t -69.58 -33.03 54.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.918 -0.583 . . . . 5.8899999999999997 110.612 179.68 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' C' C ' 71' ' ' PHE . . . . . 0.423 ' O ' ' CB ' ' C' ' 75' ' ' LYS . 10.7 t80 -55.22 -58.36 8.0 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.198 -0.455 . . . . 16.960000000000001 110.321 179.701 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -52.5 -50.99 61.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 8.3900000000000006 110.664 179.82 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 73' ' ' THR . . . . . . . . . . . . . 18.9 m -57.03 -71.13 0.1 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.373 -0.376 . . . . 12.15 110.297 179.708 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 74' ' ' LEU . . . . . 0.718 HD12 ' HB2' ' D' ' 62' ' ' GLN . 12.5 mt -49.56 -37.78 28.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.121 -0.491 . . . . 18.670000000000002 111.083 179.964 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' C' C ' 75' ' ' LYS . . . . . 0.423 ' CB ' ' O ' ' C' ' 71' ' ' PHE . 2.9 ttpt -54.71 -68.87 0.15 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.126 0.489 . . . . 19.75 110.354 179.473 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' C' C ' 76' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.16 -25.11 67.57 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.581 -0.736 . . . . 15.5 111.041 179.798 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' C' C ' 77' ' ' LEU . . . . . 0.616 ' C ' HD12 ' C' ' 77' ' ' LEU . 0.7 OUTLIER -71.67 -65.55 0.74 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.262 -0.426 . . . . 19.109999999999999 110.782 -179.895 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' C' C ' 78' ' ' TYR . . . . . 0.605 ' OH ' HG13 ' B' ' 70' ' ' VAL . 19.0 m-85 -52.66 -32.36 41.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.428 -0.351 . . . . 25.829999999999998 110.586 179.777 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 14.8 ttmt -58.59 -35.24 72.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 27.440000000000001 110.61 179.635 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 7.9 ttpt -70.03 -28.93 65.88 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.21 -0.45 . . . . 30.359999999999999 110.894 179.79 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 116.12 -0.491 . . . . 34.700000000000003 110.965 179.873 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.767 0.318 . . . . 33.920000000000002 110.866 . . . . . . . . . 1 1 . 1 . 027 nuclear build core ' D' D ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.18 -44.45 95.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.23 -0.441 . . . . 33.039999999999999 110.883 179.959 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.25 -48.99 71.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 31.670000000000002 110.739 179.729 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' D' D ' 57' ' ' ARG . . . . . . . . . . . . . 78.9 mtt180 -57.4 -34.01 68.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.125 -0.489 . . . . 25.949999999999999 110.818 179.927 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' D' D ' 58' ' ' LEU . . . . . 0.848 HD22 HG23 ' B' ' 73' ' ' THR . 17.4 mt -67.79 -59.8 3.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.101 -0.5 . . . . 18.510000000000002 110.919 -179.923 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' D' D ' 59' ' ' ALA . . . . . . . . . . . . . . . -45.97 -34.79 4.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.994 -0.548 . . . . 18.16 111.068 179.901 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' D' D ' 60' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -62.44 -48.5 79.39 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.051 -0.522 . . . . 22.670000000000002 110.601 179.792 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' D' D ' 61' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -61.87 -33.35 74.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 16.960000000000001 110.604 179.647 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' D' D ' 62' ' ' GLN . . . . . 0.722 ' O ' HG23 ' D' ' 66' ' ' VAL . 5.4 mm-40 -72.23 -49.01 38.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.042 -0.526 . . . . 15.140000000000001 110.697 179.654 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' D' D ' 63' ' ' SER . . . . . . . . . . . . . 1.3 m -52.4 -60.04 3.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.187 -0.461 . . . . 13.109999999999999 110.689 179.979 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' D' D ' 64' ' ' GLU . . . . . . . . . . . . . 26.4 pt-20 -51.06 -35.46 34.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 8.5800000000000001 110.802 179.81 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' D' D ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.28 -41.36 81.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.055 -0.521 . . . . 5.2599999999999998 110.72 179.75 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' D' D ' 66' ' ' VAL . . . . . 0.722 HG23 ' O ' ' D' ' 62' ' ' GLN . 18.5 t -64.48 -35.33 74.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.256 -0.429 . . . . 6.7300000000000004 111.133 179.887 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' D' D ' 67' ' ' LYS . . . . . . . . . . . . . 11.9 tttt -63.33 -53.25 55.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 17.190000000000001 110.94 -179.939 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' D' D ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.15 -30.41 64.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.356 -0.384 . . . . 17.550000000000001 110.626 179.926 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' D' D ' 69' ' ' MET . . . . . . . . . . . . . 50.9 ttp -72.05 -53.95 11.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.059 -0.519 . . . . 12.85 110.835 179.865 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' D' D ' 70' ' ' VAL . . . . . 0.494 HG13 ' OH ' ' A' ' 78' ' ' TYR . 62.1 t -74.7 -20.36 16.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.283 -0.417 . . . . 15.34 111.235 179.965 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 21.7 t80 -65.29 -49.3 70.03 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.907 0.384 . . . . 25.039999999999999 110.621 179.667 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -65.14 -41.09 95.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.135 -0.484 . . . . 28.800000000000001 110.71 179.784 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' D' D ' 73' ' ' THR . . . . . 0.835 HG23 HD22 ' B' ' 58' ' ' LEU . 96.2 m -58.29 -58.57 7.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.042 -0.526 . . . . 21.530000000000001 110.813 179.801 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' D' D ' 74' ' ' LEU . . . . . 0.574 ' HA ' HD12 ' D' ' 77' ' ' LEU . 30.2 mt -51.51 -42.07 61.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.479 . . . . 21.129999999999999 110.932 -180.0 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' D' D ' 75' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -50.54 -48.4 57.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.264 -0.426 . . . . 27.390000000000001 110.706 179.915 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' D' D ' 76' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.7 -32.03 67.39 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.975 -0.557 . . . . 31.07 110.643 179.8 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' D' D ' 77' ' ' LEU . . . . . 0.574 HD12 ' HA ' ' D' ' 74' ' ' LEU . 20.6 mt -58.54 -39.68 80.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.044 -0.525 . . . . 30.600000000000001 110.719 179.873 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' D' D ' 78' ' ' TYR . . . . . 0.592 ' OH ' HD13 ' C' ' 58' ' ' LEU . 26.1 m-85 -84.91 -42.79 14.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.099 -0.5 . . . . 32.869999999999997 110.672 179.849 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' D' D ' 79' ' ' LYS . . . . . . . . . . . . . 31.8 ttpt . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.022 -0.535 . . . . 39.32 110.947 179.995 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 14.8 ptt180 . . . . . 0 N--CA 1.487 1.416 0 CA-C-O 120.856 0.36 . . . . 42.789999999999999 111.225 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -147.07 86.18 1.63 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.222 -0.444 . . . . 39.149999999999999 110.927 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.421 ' O ' ' CB ' ' A' ' 58' ' ' LEU . 0.7 OUTLIER -69.08 -32.59 72.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 37.0 110.911 -179.951 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.62 -35.77 81.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.346 -0.388 . . . . 33.649999999999999 110.668 179.719 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -64.05 -55.25 23.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.042 -0.526 . . . . 29.16 110.598 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.58 -43.72 75.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.901 -0.591 . . . . 34.439999999999998 110.339 179.522 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.639 ' C ' HD13 ' A' ' 58' ' ' LEU . 2.1 tm? -60.09 -46.82 88.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.817 -0.629 . . . . 25.07 110.687 179.622 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.25 -39.0 74.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.102 -0.499 . . . . 20.399999999999999 111.021 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -57.51 -41.34 80.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.491 . . . . 20.280000000000001 110.811 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.3 -63.46 1.3 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.49 . . . . 22.079999999999998 110.945 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 9.4 mp0 -50.24 -45.52 54.14 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.984 -0.553 . . . . 25.079999999999998 110.876 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 55.5 p -60.03 -40.73 90.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 17.300000000000001 110.745 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.418 ' O ' ' HG2' ' A' ' 67' ' ' LYS . 0.6 OUTLIER -66.39 -27.47 67.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.305 -0.407 . . . . 25.629999999999999 110.735 179.811 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 83.8 mt -71.96 -36.56 69.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.276 -0.42 . . . . 17.289999999999999 110.424 179.709 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 60.4 t -74.66 -44.17 46.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.931 -0.577 . . . . 14.98 111.159 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.418 ' HG2' ' O ' ' A' ' 64' ' ' GLU . 14.3 ptmt -58.9 -41.54 87.45 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.87 0.367 . . . . 12.789999999999999 110.587 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.55 -40.59 93.02 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.138 -0.483 . . . . 12.07 110.213 179.488 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 12.1 tmm? -62.88 -47.03 85.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.874 -0.603 . . . . 8.1400000000000006 110.414 179.585 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.4 HG13 ' HG ' ' A' ' 74' ' ' LEU . 56.1 t -59.47 -39.66 79.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.158 -0.474 . . . . 9.0999999999999996 110.5 179.628 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.472 ' CE2' ' HE2' ' A' ' 75' ' ' LYS . 24.8 t80 -53.07 -57.37 10.62 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.19 -0.459 . . . . 12.109999999999999 110.187 179.529 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 38.8 m-20 -52.8 -50.86 62.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.145 -0.48 . . . . 11.41 110.739 179.719 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.6 m -59.85 -69.62 0.2 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.293 -0.412 . . . . 12.380000000000001 110.342 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.728 HD12 ' HB2' ' B' ' 62' ' ' GLN . 13.0 mt -49.67 -36.8 26.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 14.130000000000001 111.259 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.472 ' HE2' ' CE2' ' A' ' 71' ' ' PHE . 7.4 ttpt -53.62 -69.34 0.12 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.025 0.44 . . . . 13.41 110.284 179.657 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -61.26 -32.25 72.06 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.741 -0.663 . . . . 16.800000000000001 111.169 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.734 ' O ' HD12 ' A' ' 77' ' ' LEU . 2.2 tp -67.24 -41.32 85.85 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.475 -0.33 . . . . 21.199999999999999 110.766 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.735 ' CZ ' HG21 ' D' ' 73' ' ' THR . 16.6 m-30 -75.0 -18.61 60.34 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.275 -0.421 . . . . 24.449999999999999 110.804 179.494 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.44 -32.11 58.25 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.436 -0.347 . . . . 25.629999999999999 110.65 179.534 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 2.3 ttpp -58.4 -30.82 67.13 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.389 -0.369 . . . . 27.48 110.891 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.574 ' OG1' HD22 ' D' ' 77' ' ' LEU . 44.4 p -77.16 -53.98 7.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.235 -0.439 . . . . 32.909999999999997 110.775 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.4 t . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.214 -0.898 . . . . 36.229999999999997 110.825 179.983 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.796 0.332 . . . . 47.909999999999997 111.168 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 177.73 175.37 0.47 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.253 -0.43 . . . . 40.020000000000003 110.994 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -53.27 -31.15 42.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 34.640000000000001 111.156 -179.737 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.4 -33.34 63.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.425 . . . . 30.870000000000001 111.109 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -76.74 -58.5 3.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 32.240000000000002 110.894 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 46.9 mtp85 -50.89 -29.16 11.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 27.539999999999999 110.657 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 58' ' ' LEU . . . . . 0.74 HD22 HG23 ' D' ' 73' ' ' THR . 20.1 mt -70.59 -62.72 1.28 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.116 -0.493 . . . . 22.390000000000001 110.438 179.536 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -45.78 -29.3 1.27 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.832 -0.622 . . . . 19.210000000000001 111.148 179.753 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -71.49 -43.58 66.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.035 -0.529 . . . . 16.870000000000001 110.572 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 61' ' ' GLU . . . . . 0.524 ' O ' HD12 ' B' ' 65' ' ' LEU . 17.6 mm-40 -65.51 -32.14 73.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.491 . . . . 11.16 110.685 179.785 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 62' ' ' GLN . . . . . 0.728 ' HB2' HD12 ' A' ' 74' ' ' LEU . 3.4 mm-40 -72.55 -47.15 50.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 11.18 110.599 179.818 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.81 -61.25 2.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.259 -0.428 . . . . 16.539999999999999 110.566 179.752 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -50.58 -39.23 49.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.992 0.425 . . . . 17.32 110.5 179.565 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 65' ' ' LEU . . . . . 0.524 HD12 ' O ' ' B' ' 61' ' ' GLU . 0.2 OUTLIER -65.01 -46.87 79.56 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.969 -0.56 . . . . 10.109999999999999 110.574 179.634 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 66' ' ' VAL . . . . . 0.655 HG23 ' O ' ' B' ' 62' ' ' GLN . 25.6 t -68.95 -33.56 59.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.217 -0.447 . . . . 8.3499999999999996 110.831 179.643 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.58 -59.19 5.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.087 -0.506 . . . . 15.779999999999999 110.687 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 8.5 mttt -53.02 -32.88 49.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.268 -0.424 . . . . 8.7799999999999994 110.734 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 69' ' ' MET . . . . . 0.433 ' CE ' ' HB3' ' D' ' 62' ' ' GLN . 29.0 ttp -70.56 -51.13 30.56 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.058 -0.519 . . . . 10.9 110.804 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.401 HG23 ' O ' ' B' ' 66' ' ' VAL . 61.8 t -72.39 -25.28 22.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.132 -0.486 . . . . 10.960000000000001 111.066 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 14.8 t80 -60.5 -48.05 83.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 18.079999999999998 110.777 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -66.01 -41.78 90.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.068 -0.514 . . . . 24.02 110.728 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 73' ' ' THR . . . . . 0.779 HG23 HD22 ' D' ' 58' ' ' LEU . 73.8 m -52.47 -58.3 7.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.105 -0.498 . . . . 22.469999999999999 110.772 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 74' ' ' LEU . . . . . 0.69 HD23 HD12 ' B' ' 77' ' ' LEU . 86.6 mt -50.68 -38.8 48.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 26.890000000000001 110.847 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 2.2 ttpt -53.65 -51.3 63.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.983 0.421 . . . . 29.75 110.49 179.714 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -68.58 -35.48 77.43 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.902 -0.59 . . . . 28.640000000000001 110.677 179.617 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.69 HD12 HD23 ' B' ' 74' ' ' LEU . 17.2 mt -55.64 -45.21 77.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.112 -0.495 . . . . 28.18 110.825 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 78' ' ' TYR . . . . . 0.578 ' CE1' HG22 ' C' ' 81' ' ' THR . 11.7 m-85 -78.78 -30.25 45.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.079 -0.51 . . . . 34.530000000000001 110.689 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.65 -43.05 62.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.083 -0.508 . . . . 41.57 110.781 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.42 -33.04 71.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.977 -0.556 . . . . 42.200000000000003 110.977 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 1.3 t -150.93 100.91 2.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 40.100000000000001 111.075 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.263 -0.875 . . . . 47.5 110.862 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 52' ' ' ARG . . . . . . . . . . . . . 14.7 ptt180 . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.782 0.325 . . . . 46.149999999999999 111.304 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 53' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -146.83 86.16 1.65 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 35.600000000000001 110.885 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 54' ' ' ASP . . . . . 0.418 ' O ' ' CB ' ' C' ' 58' ' ' LEU . 0.8 OUTLIER -69.05 -32.6 72.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 38.869999999999997 110.952 179.913 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.61 -35.67 81.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.287 -0.415 . . . . 30.359999999999999 110.627 179.742 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -64.25 -55.23 22.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.106 -0.497 . . . . 28.239999999999998 110.549 179.679 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.5 -43.61 76.46 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.976 -0.556 . . . . 28.739999999999998 110.342 179.548 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 58' ' ' LEU . . . . . 0.636 ' C ' HD13 ' C' ' 58' ' ' LEU . 2.1 tm? -60.33 -46.66 89.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.802 -0.636 . . . . 29.59 110.669 179.661 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.18 -39.3 75.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 25.050000000000001 110.964 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -57.29 -41.37 79.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.128 -0.487 . . . . 25.469999999999999 110.787 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.36 -63.42 1.31 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 25.41 110.918 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 9.3 mp0 -50.07 -45.85 52.78 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.063 -0.517 . . . . 19.050000000000001 110.827 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 63' ' ' SER . . . . . . . . . . . . . 57.2 p -59.73 -40.66 88.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.105 -0.498 . . . . 16.32 110.814 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 64' ' ' GLU . . . . . 0.416 ' O ' ' HG2' ' C' ' 67' ' ' LYS . 0.6 OUTLIER -66.55 -27.26 67.61 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.198 -0.455 . . . . 18.219999999999999 110.77 179.86 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 65' ' ' LEU . . . . . . . . . . . . . 83.8 mt -72.18 -36.44 69.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 17.890000000000001 110.398 179.729 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 66' ' ' VAL . . . . . . . . . . . . . 60.4 t -74.75 -44.15 46.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.913 -0.585 . . . . 10.01 111.084 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 67' ' ' LYS . . . . . 0.416 ' HG2' ' O ' ' C' ' 64' ' ' GLU . 14.2 ptmt -58.92 -41.63 87.75 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.319 -0.401 . . . . 15.65 110.55 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.58 -40.49 92.79 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.175 -0.466 . . . . 20.859999999999999 110.254 179.511 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 69' ' ' MET . . . . . . . . . . . . . 12.1 tmm? -63.02 -46.64 86.67 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.871 -0.604 . . . . 9.3699999999999992 110.49 179.592 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 70' ' ' VAL . . . . . 0.409 HG13 ' HG ' ' C' ' 74' ' ' LEU . 56.1 t -59.81 -39.78 80.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.214 -0.448 . . . . 6.7599999999999998 110.445 179.678 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 71' ' ' PHE . . . . . 0.463 ' CE2' ' HE2' ' C' ' 75' ' ' LYS . 24.9 t80 -52.7 -57.6 9.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 18.23 110.255 179.455 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 38.4 m-20 -52.73 -50.92 62.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.1 -0.5 . . . . 11.949999999999999 110.679 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 73' ' ' THR . . . . . . . . . . . . . 18.4 m -59.82 -69.25 0.22 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.349 -0.387 . . . . 10.619999999999999 110.332 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 74' ' ' LEU . . . . . 0.718 HD12 ' HB2' ' D' ' 62' ' ' GLN . 12.8 mt -50.08 -36.49 29.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 17.82 111.134 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 75' ' ' LYS . . . . . 0.463 ' HE2' ' CE2' ' C' ' 71' ' ' PHE . 7.3 ttpt -53.94 -69.52 0.12 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.048 0.451 . . . . 19.469999999999999 110.335 179.629 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 76' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -60.92 -32.34 71.84 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.713 -0.676 . . . . 16.289999999999999 111.077 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 77' ' ' LEU . . . . . 0.733 ' O ' HD12 ' C' ' 77' ' ' LEU . 2.2 tp -67.23 -41.39 85.77 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.463 -0.335 . . . . 19.27 110.807 -179.798 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 78' ' ' TYR . . . . . 0.718 ' CZ ' HG21 ' B' ' 73' ' ' THR . 16.7 m-30 -75.02 -18.39 60.35 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.349 -0.387 . . . . 26.030000000000001 110.803 179.542 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.57 -32.18 58.0 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.418 -0.355 . . . . 27.07 110.593 179.593 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 2.3 ttpp -58.54 -30.64 67.27 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.344 -0.389 . . . . 30.870000000000001 110.834 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 81' ' ' THR . . . . . 0.578 HG22 ' CE1' ' B' ' 78' ' ' TYR . 44.6 p -77.37 -53.89 7.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.939 0.4 . . . . 34.530000000000001 110.785 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 82' ' ' THR . . . . . . . . . . . . . 1.4 t . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.332 -0.842 . . . . 39.659999999999997 110.823 179.871 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 52' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.71 0.29 . . . . 48.649999999999999 111.188 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 53' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 177.82 175.48 0.48 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.316 -0.402 . . . . 40.530000000000001 110.994 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -53.39 -30.93 42.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.085 -0.507 . . . . 33.609999999999999 111.152 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.67 -33.26 63.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 32.390000000000001 111.086 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -76.79 -58.31 3.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 31.600000000000001 110.861 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 57' ' ' ARG . . . . . . . . . . . . . 46.9 mtp85 -51.17 -29.06 12.7 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.272 -0.422 . . . . 23.34 110.621 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 58' ' ' LEU . . . . . 0.779 HD22 HG23 ' B' ' 73' ' ' THR . 20.2 mt -70.63 -62.75 1.27 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.104 -0.498 . . . . 18.91 110.488 179.537 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 59' ' ' ALA . . . . . . . . . . . . . . . -45.65 -29.41 1.23 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.791 -0.64 . . . . 19.149999999999999 111.168 179.689 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 60' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -71.48 -43.68 66.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.945 -0.571 . . . . 24.010000000000002 110.574 179.769 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 61' ' ' GLU . . . . . 0.515 ' O ' HD12 ' D' ' 65' ' ' LEU . 17.6 mm-40 -65.52 -31.96 73.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 17.399999999999999 110.68 179.818 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 62' ' ' GLN . . . . . 0.718 ' HB2' HD12 ' C' ' 74' ' ' LEU . 3.5 mm-40 -72.61 -47.18 49.9 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.234 -0.439 . . . . 14.76 110.619 179.796 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 63' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.72 -61.11 2.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.294 -0.412 . . . . 13.02 110.587 179.713 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 64' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -50.7 -39.45 51.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.446 . . . . 8.2699999999999996 110.497 179.573 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 65' ' ' LEU . . . . . 0.515 HD12 ' O ' ' D' ' 61' ' ' GLU . 0.2 OUTLIER -64.78 -46.98 79.79 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.837 -0.62 . . . . 5.5899999999999999 110.538 179.629 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' D' D ' 66' ' ' VAL . . . . . 0.665 HG23 ' O ' ' D' ' 62' ' ' GLN . 25.4 t -69.0 -33.11 57.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.239 -0.437 . . . . 5.8399999999999999 110.917 179.673 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 67' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.05 -58.51 7.56 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.127 -0.488 . . . . 11.960000000000001 110.784 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 68' ' ' LYS . . . . . . . . . . . . . 8.5 mttt -53.61 -32.98 53.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 19.719999999999999 110.674 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 69' ' ' MET . . . . . 0.431 ' CE ' ' HB3' ' B' ' 62' ' ' GLN . 29.1 ttp -70.14 -51.54 30.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.992 -0.549 . . . . 12.99 110.827 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 70' ' ' VAL . . . . . . . . . . . . . 62.3 t -72.2 -25.13 23.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.031 -0.532 . . . . 15.140000000000001 111.073 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 14.5 t80 -60.64 -48.03 83.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 24.609999999999999 110.717 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -65.9 -41.77 91.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 28.780000000000001 110.78 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 73' ' ' THR . . . . . 0.74 HG23 HD22 ' B' ' 58' ' ' LEU . 76.4 m -52.5 -58.29 7.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 22.34 110.767 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 74' ' ' LEU . . . . . 0.7 HD23 HD12 ' D' ' 77' ' ' LEU . 85.6 mt -50.6 -39.03 48.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.489 . . . . 20.760000000000002 110.845 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 75' ' ' LYS . . . . . . . . . . . . . 2.1 ttpt -53.57 -51.02 64.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 25.870000000000001 110.519 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 76' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -68.83 -35.51 77.05 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.904 -0.589 . . . . 30.829999999999998 110.655 179.7 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 77' ' ' LEU . . . . . 0.7 HD12 HD23 ' D' ' 74' ' ' LEU . 17.3 mt -55.64 -45.28 77.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.043 -0.526 . . . . 30.149999999999999 110.826 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 78' ' ' TYR . . . . . 0.507 ' CE1' HG22 ' A' ' 81' ' ' THR . 11.8 m-85 -78.82 -30.04 45.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.024 -0.535 . . . . 31.699999999999999 110.664 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.88 -43.1 63.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.068 -0.515 . . . . 40.82 110.705 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.25 -33.35 72.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.088 -0.505 . . . . 38.740000000000002 110.928 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 81' ' ' THR . . . . . . . . . . . . . 1.2 t -150.64 100.95 2.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.459 . . . . 39.18 111.028 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 82' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.248 -0.882 . . . . 44.549999999999997 110.838 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 62.7 ttt-85 . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.794 0.33 . . . . 47.530000000000001 111.215 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 14.1 t30 -95.36 54.58 1.63 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.17 -0.468 . . . . 42.740000000000002 111.07 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -58.53 -23.77 59.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 40.340000000000003 110.891 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.63 -41.81 98.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.376 -0.375 . . . . 35.740000000000002 110.792 179.784 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -65.96 -52.9 45.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 30.899999999999999 110.529 179.653 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 24.8 mtm180 -62.07 -44.7 96.1 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.941 -0.572 . . . . 38.789999999999999 110.341 179.39 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.431 HD23 ' HA ' ' A' ' 58' ' ' LEU . 14.9 mt -55.7 -53.32 58.08 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.883 -0.599 . . . . 29.34 110.663 179.652 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -50.18 -32.34 16.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 21.27 110.908 179.77 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -81.19 -29.45 34.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.478 . . . . 18.699999999999999 110.617 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -77.46 -49.09 15.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.086 -0.506 . . . . 20.510000000000002 110.629 179.656 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.485 ' HA ' HD12 ' A' ' 65' ' ' LEU . 54.8 mm-40 -63.16 -39.49 94.82 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.847 -0.615 . . . . 23.550000000000001 110.462 179.655 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 55.6 p -66.6 -36.37 82.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.031 -0.532 . . . . 18.920000000000002 110.39 179.616 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -57.27 -43.97 83.56 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.08 -0.509 . . . . 26.539999999999999 110.446 179.724 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.485 HD12 ' HA ' ' A' ' 62' ' ' GLN . 1.5 mt -59.5 -41.13 89.17 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.076 -0.511 . . . . 19.32 110.31 179.558 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 61.7 t -69.49 -49.57 58.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.974 -0.557 . . . . 14.81 110.733 179.507 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.9 tttt -61.32 -41.39 96.94 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.236 -0.438 . . . . 8.1899999999999995 110.35 179.533 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 32.7 ttpt -64.8 -36.66 85.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.033 -0.53 . . . . 14.609999999999999 110.364 179.606 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 24.0 ttp -65.53 -39.58 91.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.992 -0.549 . . . . 8.3599999999999994 110.502 179.663 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 70.3 t -68.1 -45.28 83.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.084 -0.507 . . . . 9.5099999999999998 110.826 179.728 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.427 ' O ' ' CB ' ' A' ' 75' ' ' LYS . 73.3 t80 -51.15 -62.79 1.4 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.493 -0.321 . . . . 16.739999999999998 110.429 179.808 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -50.55 -39.09 48.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.281 -0.418 . . . . 12.9 110.537 179.558 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.6 m -68.39 -73.81 0.14 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.065 -0.516 . . . . 9.9499999999999993 110.358 179.601 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.746 HD12 ' HB2' ' B' ' 62' ' ' GLN . 19.0 mt -49.04 -34.54 13.67 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.061 -0.518 . . . . 13.109999999999999 111.045 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.427 ' CB ' ' O ' ' A' ' 71' ' ' PHE . 6.9 tttt -54.58 -68.9 0.15 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.031 -0.532 . . . . 15.65 110.071 179.369 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -63.49 -29.56 70.82 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.592 -0.731 . . . . 18.539999999999999 110.883 179.674 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.602 ' C ' HD12 ' A' ' 77' ' ' LEU . 0.6 OUTLIER -65.96 -65.65 0.65 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.273 -0.421 . . . . 21.539999999999999 110.586 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.463 ' OH ' HG13 ' D' ' 70' ' ' VAL . 22.6 m-30 -53.92 -27.06 28.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.419 -0.355 . . . . 27.07 110.855 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 12.7 mttt -67.69 -31.18 70.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 24.489999999999998 110.957 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -75.03 -27.81 60.22 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.148 -0.478 . . . . 29.52 110.957 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.8 -62.21 1.48 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.031 -0.532 . . . . 33.93 111.092 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.2 p . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.253 -0.88 . . . . 39.170000000000002 110.989 -179.794 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.783 0.325 . . . . 42.840000000000003 111.083 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -128.47 24.77 5.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.282 -0.417 . . . . 38.32 111.096 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -70.77 -22.05 62.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.171 -0.468 . . . . 33.18 111.068 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.55 -46.98 77.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.83 0.348 . . . . 29.41 110.936 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -62.1 -53.13 59.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 33.039999999999999 110.61 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.25 -36.53 61.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 25.670000000000002 110.762 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 58' ' ' LEU . . . . . 0.8 HD22 HG23 ' D' ' 73' ' ' THR . 4.5 mt -63.99 -58.72 5.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.974 -0.557 . . . . 22.469999999999999 110.883 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 59' ' ' ALA . . . . . 0.43 ' HB1' ' HB2' ' A' ' 74' ' ' LEU . . . -46.5 -37.14 7.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.908 -0.587 . . . . 20.309999999999999 110.875 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -58.96 -48.33 81.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.939 -0.573 . . . . 21.149999999999999 110.683 179.64 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 61' ' ' GLU . . . . . 0.407 ' O ' ' HG2' ' B' ' 64' ' ' GLU . 27.5 mt-10 -60.59 -36.51 78.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 14.550000000000001 110.273 179.649 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 62' ' ' GLN . . . . . 0.746 ' HB2' HD12 ' A' ' 74' ' ' LEU . 7.9 mm-40 -68.39 -51.75 40.61 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.892 -0.594 . . . . 10.359999999999999 110.432 179.486 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -50.2 -65.3 0.58 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.022 -0.535 . . . . 16.140000000000001 110.953 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 64' ' ' GLU . . . . . 0.407 ' HG2' ' O ' ' B' ' 61' ' ' GLU . 13.2 pt-20 -46.91 -32.61 3.93 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.867 0.365 . . . . 15.81 111.004 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.32 -41.29 81.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.049 -0.523 . . . . 10.23 110.674 179.525 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 66' ' ' VAL . . . . . 0.484 HG23 ' O ' ' B' ' 62' ' ' GLN . 36.4 t -66.61 -38.28 81.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.102 -0.499 . . . . 7.75 111.261 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 67' ' ' LYS . . . . . 0.4 ' O ' ' N ' ' B' ' 71' ' ' PHE . 2.3 tttt -58.09 -51.86 67.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 10.470000000000001 111.139 -179.841 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 77.3 tttt -58.78 -32.15 69.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.409 -0.36 . . . . 11.06 110.911 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 69' ' ' MET . . . . . 0.435 ' CE ' ' HB3' ' D' ' 62' ' ' GLN . 23.1 ttp -71.37 -49.61 40.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 11.17 110.85 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.584 HG13 ' OH ' ' C' ' 78' ' ' TYR . 53.1 t -76.94 -24.36 15.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.121 -0.491 . . . . 10.93 111.105 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.4 ' N ' ' O ' ' B' ' 67' ' ' LYS . 32.2 t80 -60.68 -52.08 66.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.255 -0.429 . . . . 17.48 110.647 179.771 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.27 -40.28 93.72 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.153 -0.476 . . . . 24.809999999999999 110.587 179.661 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 73' ' ' THR . . . . . 0.792 HG23 HD22 ' D' ' 58' ' ' LEU . 60.3 m -55.82 -55.23 34.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 24.469999999999999 110.684 179.683 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 74' ' ' LEU . . . . . 0.405 ' HA ' ' HB2' ' B' ' 77' ' ' LEU . 13.6 mt -58.1 -42.01 84.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.164 -0.471 . . . . 26.399999999999999 110.882 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 3.4 ttpt -49.61 -41.41 42.14 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.255 -0.43 . . . . 26.859999999999999 110.628 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -77.71 -31.46 52.32 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.937 -0.574 . . . . 27.559999999999999 110.481 179.608 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.405 ' HB2' ' HA ' ' B' ' 74' ' ' LEU . 18.4 mt -63.87 -41.6 97.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.981 -0.554 . . . . 28.120000000000001 110.843 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 78' ' ' TYR . . . . . 0.417 ' CE1' HG22 ' C' ' 81' ' ' THR . 15.0 m-85 -84.16 -39.33 19.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 32.859999999999999 110.87 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 79' ' ' LYS . . . . . 0.43 ' O ' HG23 ' B' ' 82' ' ' THR . 11.2 tttm -53.01 -47.04 68.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.022 -0.535 . . . . 42.829999999999998 110.891 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.5 -56.89 7.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 40.689999999999998 110.763 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 81' ' ' THR . . . . . 0.621 HG21 ' HA ' ' C' ' 82' ' ' THR . 46.7 p -71.14 62.16 0.31 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 39.340000000000003 111.043 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.43 HG23 ' O ' ' B' ' 79' ' ' LYS . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.262 -0.875 . . . . 47.189999999999998 110.891 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 52' ' ' ARG . . . . . . . . . . . . . 62.8 ttt-85 . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.828 0.347 . . . . 47.130000000000003 111.202 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 53' ' ' ASN . . . . . . . . . . . . . 14.3 t30 -95.44 54.52 1.61 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.458 . . . . 36.969999999999999 111.038 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -58.34 -23.83 57.87 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.224 -0.444 . . . . 36.189999999999998 110.965 179.777 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.52 -42.26 98.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.321 -0.4 . . . . 30.09 110.722 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -65.58 -52.86 48.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 28.210000000000001 110.492 179.757 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 57' ' ' ARG . . . . . . . . . . . . . 24.6 mtm180 -62.27 -44.64 96.07 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.939 -0.573 . . . . 25.870000000000001 110.315 179.539 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 58' ' ' LEU . . . . . 0.451 HD23 ' HA ' ' C' ' 58' ' ' LEU . 15.1 mt -55.67 -53.48 56.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.843 -0.617 . . . . 26.510000000000002 110.598 179.536 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -50.0 -32.42 15.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 23.699999999999999 110.878 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -81.18 -29.29 34.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 25.75 110.673 179.742 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -77.71 -48.98 15.4 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.06 -0.518 . . . . 27.57 110.641 179.725 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 62' ' ' GLN . . . . . 0.506 ' HA ' HD12 ' C' ' 65' ' ' LEU . 54.6 mm-40 -63.21 -39.55 94.95 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.83 -0.623 . . . . 20.07 110.491 179.609 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 63' ' ' SER . . . . . . . . . . . . . 55.6 p -66.38 -36.72 83.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.036 -0.529 . . . . 15.949999999999999 110.347 179.54 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -56.98 -44.28 82.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.077 -0.51 . . . . 18.460000000000001 110.474 179.68 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 65' ' ' LEU . . . . . 0.506 HD12 ' HA ' ' C' ' 62' ' ' GLN . 1.5 mt -59.19 -41.07 87.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.079 -0.51 . . . . 15.77 110.305 179.534 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 66' ' ' VAL . . . . . . . . . . . . . 61.9 t -69.72 -49.45 57.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.02 -0.537 . . . . 10.050000000000001 110.735 179.617 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 67' ' ' LYS . . . . . 0.439 ' CG ' ' HB2' ' D' ' 63' ' ' SER . 13.9 tttt -61.37 -41.34 96.93 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.193 -0.458 . . . . 18.969999999999999 110.291 179.556 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 68' ' ' LYS . . . . . . . . . . . . . 32.7 ttpt -64.77 -36.87 85.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.048 -0.524 . . . . 20.719999999999999 110.375 179.542 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 69' ' ' MET . . . . . . . . . . . . . 23.7 ttp -65.37 -39.42 92.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.038 -0.528 . . . . 7.8399999999999999 110.477 179.649 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 63.2 t -68.32 -45.07 83.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.082 -0.508 . . . . 4.4100000000000001 110.784 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 71' ' ' PHE . . . . . 0.433 ' O ' ' CB ' ' C' ' 75' ' ' LYS . 73.7 t80 -51.45 -62.65 1.49 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.444 -0.344 . . . . 13.6 110.538 179.707 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -50.74 -39.03 50.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 7.0300000000000002 110.566 179.565 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 73' ' ' THR . . . . . . . . . . . . . 18.9 m -68.47 -73.94 0.13 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.957 -0.565 . . . . 13.18 110.32 179.574 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 74' ' ' LEU . . . . . 0.666 HD12 ' HB2' ' D' ' 62' ' ' GLN . 19.1 mt -48.72 -34.83 12.77 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.188 -0.46 . . . . 18.75 111.023 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 75' ' ' LYS . . . . . 0.433 ' CB ' ' O ' ' C' ' 71' ' ' PHE . 6.9 tttt -54.4 -68.91 0.15 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.029 -0.532 . . . . 21.25 110.169 179.341 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 76' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -63.62 -29.44 70.68 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.681 -0.69 . . . . 14.52 110.826 179.677 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 77' ' ' LEU . . . . . 0.614 ' C ' HD12 ' C' ' 77' ' ' LEU . 0.6 OUTLIER -66.04 -65.65 0.65 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.295 -0.411 . . . . 19.16 110.586 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' C' C ' 78' ' ' TYR . . . . . 0.584 ' OH ' HG13 ' B' ' 70' ' ' VAL . 22.7 m-30 -53.93 -27.26 29.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.38 -0.373 . . . . 25.07 110.767 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 12.7 mttt -67.41 -31.43 71.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 26.41 110.936 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -74.87 -27.77 60.39 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.201 -0.454 . . . . 28.82 110.975 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 81' ' ' THR . . . . . 0.417 HG22 ' CE1' ' B' ' 78' ' ' TYR . 0.0 OUTLIER -68.95 -61.83 1.63 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.148 -0.478 . . . . 33.460000000000001 111.172 -179.887 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' C' C ' 82' ' ' THR . . . . . 0.621 ' HA ' HG21 ' B' ' 81' ' ' THR . 1.2 p . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.242 -0.885 . . . . 40.090000000000003 110.922 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.779 0.323 . . . . 44.68 111.273 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -128.56 24.87 5.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 41.950000000000003 111.077 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -70.86 -22.08 62.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 35.25 111.04 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.45 -47.07 76.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.828 0.346 . . . . 33.909999999999997 110.977 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -62.09 -53.01 61.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 30.350000000000001 110.707 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 57' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.18 -36.62 61.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.49 . . . . 24.489999999999998 110.74 179.651 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 58' ' ' LEU . . . . . 0.792 HD22 HG23 ' B' ' 73' ' ' THR . 4.7 mt -63.99 -58.41 6.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.043 -0.526 . . . . 19.350000000000001 110.884 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 59' ' ' ALA . . . . . . . . . . . . . . . -47.45 -35.25 8.31 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.974 -0.557 . . . . 17.77 110.939 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 60' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -60.6 -47.45 86.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.007 -0.542 . . . . 23.18 110.462 179.608 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 61' ' ' GLU . . . . . 0.401 ' O ' ' HG2' ' D' ' 64' ' ' GLU . 27.7 mt-10 -61.48 -36.93 81.83 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.155 -0.475 . . . . 16.09 110.353 179.523 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 62' ' ' GLN . . . . . 0.666 ' HB2' HD12 ' C' ' 74' ' ' LEU . 7.7 mm-40 -67.88 -49.72 60.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.007 -0.542 . . . . 15.34 110.347 179.415 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 63' ' ' SER . . . . . 0.439 ' HB2' ' CG ' ' C' ' 67' ' ' LYS . 0.2 OUTLIER -50.96 -67.43 0.25 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.885 -0.598 . . . . 13.09 110.959 179.874 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' D' D ' 64' ' ' GLU . . . . . 0.401 ' HG2' ' O ' ' D' ' 61' ' ' GLU . 13.2 pt-20 -45.77 -32.26 2.43 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.148 -0.478 . . . . 12.17 111.002 -179.817 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.77 -41.69 78.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 5.79 110.547 179.579 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 66' ' ' VAL . . . . . 0.53 HG23 ' O ' ' D' ' 62' ' ' GLN . 35.0 t -66.44 -38.2 81.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.127 -0.488 . . . . 7.2000000000000002 111.303 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 67' ' ' LYS . . . . . . . . . . . . . 2.4 tttt -58.14 -51.88 67.88 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.235 -0.439 . . . . 18.940000000000001 111.051 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 68' ' ' LYS . . . . . . . . . . . . . 77.2 tttt -58.71 -32.12 68.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.37 -0.377 . . . . 17.550000000000001 110.84 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 69' ' ' MET . . . . . 0.413 ' CE ' ' HB3' ' B' ' 62' ' ' GLN . 21.8 ttp -71.37 -49.61 40.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 12.890000000000001 110.949 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 70' ' ' VAL . . . . . 0.463 HG13 ' OH ' ' A' ' 78' ' ' TYR . 51.8 t -76.92 -24.46 15.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 15.52 111.032 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -60.6 -52.17 66.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.268 -0.424 . . . . 24.73 110.652 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.17 -40.33 94.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 28.780000000000001 110.586 179.677 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 73' ' ' THR . . . . . 0.8 HG23 HD22 ' B' ' 58' ' ' LEU . 62.4 m -55.95 -55.21 35.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 20.829999999999998 110.701 179.684 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 74' ' ' LEU . . . . . . . . . . . . . 13.5 mt -58.1 -42.0 84.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.489 . . . . 22.02 110.899 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 75' ' ' LYS . . . . . . . . . . . . . 3.4 ttpt -49.57 -41.29 41.24 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.96 0.41 . . . . 28.859999999999999 110.658 179.742 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 76' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -77.92 -31.43 51.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.999 -0.546 . . . . 31.34 110.549 179.627 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 77' ' ' LEU . . . . . . . . . . . . . 18.6 mt -63.75 -41.43 98.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.921 -0.581 . . . . 30.789999999999999 110.832 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 78' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -84.46 -39.41 18.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.112 -0.494 . . . . 33.609999999999999 110.778 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 79' ' ' LYS . . . . . 0.442 ' O ' HG23 ' D' ' 82' ' ' THR . 11.3 tttm -52.85 -47.36 67.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 39.289999999999999 110.907 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.14 -56.92 7.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 44.25 110.75 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 81' ' ' THR . . . . . . . . . . . . . 45.1 p -71.14 62.11 0.31 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.215 -0.448 . . . . 40.759999999999998 111.093 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 82' ' ' THR . . . . . 0.442 HG23 ' O ' ' D' ' 79' ' ' LYS . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.282 -0.866 . . . . 48.100000000000001 110.886 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.822 0.344 . . . . 48.109999999999999 111.232 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -72.66 91.38 1.44 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 41.810000000000002 110.923 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -73.69 -34.78 65.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.295 -0.411 . . . . 42.140000000000001 110.787 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.462 ' HB1' ' HB3' ' B' ' 78' ' ' TYR . . . -59.71 -41.36 90.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.278 -0.419 . . . . 35.57 110.794 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -68.04 -54.08 21.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.484 . . . . 30.59 110.578 179.768 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 46.2 ttp180 -60.94 -41.37 96.1 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.995 -0.548 . . . . 36.850000000000001 110.415 179.591 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.429 HD23 ' HA ' ' A' ' 58' ' ' LEU . 15.0 mt -58.95 -50.78 72.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.846 -0.615 . . . . 31.859999999999999 110.601 179.667 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.59 -32.87 30.34 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.109 -0.496 . . . . 22.879999999999999 110.875 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 30.3 t0 -76.36 -29.74 57.32 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.029 -0.532 . . . . 21.34 110.596 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -73.54 -51.79 15.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.067 -0.515 . . . . 21.350000000000001 110.612 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.882 ' HA ' HD12 ' A' ' 65' ' ' LEU . 30.8 mm-40 -54.85 -50.17 69.29 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.937 -0.574 . . . . 20.710000000000001 110.579 179.773 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 48.1 p -56.59 -41.59 77.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 18.649999999999999 110.525 179.661 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.415 ' O ' ' HG2' ' A' ' 67' ' ' LYS . 4.1 tt0 -60.02 -33.93 72.67 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.063 -0.517 . . . . 24.289999999999999 110.546 179.666 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.882 HD12 ' HA ' ' A' ' 62' ' ' GLN . 8.6 mt -68.96 -29.13 67.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.098 -0.501 . . . . 20.399999999999999 110.028 179.42 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 58.6 t -80.67 -46.45 21.22 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.283 0 CA-C-N 115.768 -0.651 . . . . 13.390000000000001 110.86 179.613 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.432 ' HD2' ' HD2' ' B' ' 67' ' ' LYS . 7.4 ptmt -59.86 -46.05 90.52 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.267 -0.424 . . . . 7.8499999999999996 110.38 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 16.4 ttpp -61.26 -38.39 86.52 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.061 -0.518 . . . . 16.800000000000001 110.317 179.504 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.41 ' CE ' HG21 ' C' ' 73' ' ' THR . 24.7 ttp -64.82 -42.29 95.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.958 -0.565 . . . . 9.2100000000000009 110.388 179.48 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 70.0 t -70.04 -42.17 79.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.094 -0.503 . . . . 9.1500000000000004 110.679 179.65 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.418 ' O ' ' CB ' ' A' ' 75' ' ' LYS . 48.5 t80 -52.25 -60.6 3.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 19.77 110.426 179.753 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.17 -45.71 68.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.224 -0.443 . . . . 14.880000000000001 110.609 179.719 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 17.6 m -61.75 -71.64 0.14 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.187 -0.461 . . . . 8.5999999999999996 110.277 179.545 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.641 HD12 ' HB2' ' B' ' 62' ' ' GLN . 19.8 mt -49.68 -36.84 26.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.979 -0.555 . . . . 14.02 111.105 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.418 ' CB ' ' O ' ' A' ' 71' ' ' PHE . 9.2 ttpp -56.25 -68.04 0.25 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.192 0.52 . . . . 18.030000000000001 110.029 179.187 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -61.98 -29.27 70.14 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.467 -0.788 . . . . 18.98 111.005 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.703 ' O ' HD12 ' A' ' 77' ' ' LEU . 0.7 OUTLIER -66.36 -54.97 18.3 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.43 -0.35 . . . . 21.109999999999999 110.576 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.479 ' CD1' ' CD1' ' D' ' 77' ' ' LEU . 20.9 m-85 -62.68 -21.56 65.82 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.371 -0.377 . . . . 28.420000000000002 110.809 179.562 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.61 -31.33 68.26 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.279 -0.419 . . . . 25.489999999999998 110.523 179.712 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 4.2 ttmt -66.79 -26.89 67.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.115 -0.493 . . . . 30.850000000000001 110.968 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.5 p -82.04 -64.89 1.09 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.322 -0.399 . . . . 34.07 111.063 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 12.8 t . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.244 -0.884 . . . . 40.619999999999997 110.988 179.951 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 3.3 mtm180 . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.811 0.339 . . . . 46.159999999999997 111.225 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -103.79 21.03 16.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 36.869999999999997 111.113 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -63.62 -25.19 68.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.486 -0.324 . . . . 31.780000000000001 110.716 179.805 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 55' ' ' ALA . . . . . 0.476 ' HA ' HD12 ' B' ' 58' ' ' LEU . . . -56.78 -40.79 76.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 28.16 111.181 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -65.66 -49.37 68.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 33.280000000000001 110.886 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 6.5 mpt_? -51.16 -30.18 15.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 23.34 110.895 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 58' ' ' LEU . . . . . 0.829 HD22 HG23 ' D' ' 73' ' ' THR . 13.0 mt -77.37 -65.09 1.0 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 20.420000000000002 111.178 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -45.44 -27.67 0.75 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.997 -0.547 . . . . 19.789999999999999 111.349 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -71.9 -57.58 4.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 22.710000000000001 110.796 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 61' ' ' GLU . . . . . 0.411 ' HA ' ' HG2' ' B' ' 64' ' ' GLU . 2.3 mm-40 -63.55 -25.54 68.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.316 -0.402 . . . . 14.609999999999999 110.795 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 62' ' ' GLN . . . . . 0.641 ' HB2' HD12 ' A' ' 74' ' ' LEU . 2.5 mm-40 -75.24 -39.0 60.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 9.9700000000000006 110.904 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 2.8 p -69.04 -53.57 19.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.343 -0.389 . . . . 14.619999999999999 110.734 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 64' ' ' GLU . . . . . 0.411 ' HG2' ' HA ' ' B' ' 61' ' ' GLU . 0.0 OUTLIER -52.33 -35.69 51.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.105 -0.498 . . . . 11.76 110.669 179.688 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.13 -42.91 96.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 8.7699999999999996 110.799 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 66' ' ' VAL . . . . . 0.52 HG23 ' O ' ' B' ' 62' ' ' GLN . 60.5 t -63.78 -42.19 95.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.242 -0.435 . . . . 6.6900000000000004 111.122 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 67' ' ' LYS . . . . . 0.432 ' HD2' ' HD2' ' A' ' 67' ' ' LYS . 13.0 tttt -54.15 -59.91 4.03 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.985 -0.552 . . . . 5.7699999999999996 110.902 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 5.9 mttp -52.38 -32.87 40.69 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.206 -0.452 . . . . 13.65 111.074 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 69' ' ' MET . . . . . . . . . . . . . 44.0 ttp -72.76 -51.11 20.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.838 0.351 . . . . 12.220000000000001 110.982 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.62 HG13 ' OH ' ' C' ' 78' ' ' TYR . 64.6 t -75.9 -16.95 15.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 12.789999999999999 111.518 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.424 ' N ' ' O ' ' B' ' 67' ' ' LYS . 40.6 t80 -68.3 -54.07 20.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.888 0.375 . . . . 17.890000000000001 110.732 179.751 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -61.85 -43.37 98.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.082 -0.508 . . . . 26.550000000000001 110.809 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 73' ' ' THR . . . . . 0.762 HG23 HD22 ' D' ' 58' ' ' LEU . 52.5 m -53.96 -48.0 70.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 25.34 111.096 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 74' ' ' LEU . . . . . 0.525 ' HA ' HD12 ' B' ' 77' ' ' LEU . 24.6 mt -59.69 -39.6 85.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.467 . . . . 25.16 110.845 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 2.0 tptp -50.87 -46.27 60.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.356 -0.384 . . . . 25.640000000000001 110.537 179.771 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.0 -25.32 60.94 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.904 -0.589 . . . . 27.760000000000002 110.675 179.526 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.525 HD12 ' HA ' ' B' ' 74' ' ' LEU . 26.3 mt -72.46 -50.5 25.69 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.029 -0.532 . . . . 28.850000000000001 111.143 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 78' ' ' TYR . . . . . 0.462 ' HB3' ' HB1' ' A' ' 55' ' ' ALA . 8.4 m-85 -69.18 -57.53 5.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 31.440000000000001 111.497 -179.536 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -46.39 -31.61 2.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.367 -0.379 . . . . 42.43 111.22 -179.748 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 5.2 tptt -63.07 -46.73 86.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 38.939999999999998 110.808 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 4.6 p -76.24 59.81 1.42 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.464 . . . . 39.130000000000003 111.033 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 7.4 t . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.253 -0.879 . . . . 46.840000000000003 110.865 -179.991 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 52' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.83 0.347 . . . . 43.979999999999997 111.213 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -72.52 91.32 1.39 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 39.359999999999999 110.926 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 54' ' ' ASP . . . . . 0.404 ' O ' ' HG ' ' C' ' 58' ' ' LEU . 4.8 t0 -73.66 -34.67 65.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 36.939999999999998 110.775 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 55' ' ' ALA . . . . . 0.575 ' HB1' ' HB3' ' D' ' 78' ' ' TYR . . . -59.9 -41.33 91.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.297 -0.411 . . . . 32.479999999999997 110.802 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -67.92 -54.15 20.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 28.420000000000002 110.606 179.701 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 57' ' ' ARG . . . . . . . . . . . . . 46.1 ttp180 -61.0 -41.33 96.31 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.98 -0.555 . . . . 30.289999999999999 110.416 179.615 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 58' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' C' ' 58' ' ' LEU . 15.0 mt -59.02 -50.75 72.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.892 -0.594 . . . . 25.350000000000001 110.58 179.69 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.59 -32.85 30.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.092 -0.504 . . . . 23.440000000000001 110.832 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -76.37 -30.02 57.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 26.609999999999999 110.502 179.743 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -73.29 -51.72 16.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.499 . . . . 27.760000000000002 110.622 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 62' ' ' GLN . . . . . 0.85 ' HA ' HD12 ' C' ' 65' ' ' LEU . 31.2 mm-40 -54.82 -50.42 68.61 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.989 -0.551 . . . . 22.66 110.552 179.723 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 63' ' ' SER . . . . . . . . . . . . . 44.6 p -56.35 -41.39 76.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.482 . . . . 16.239999999999998 110.555 179.683 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 64' ' ' GLU . . . . . 0.415 ' O ' ' HG2' ' C' ' 67' ' ' LYS . 4.1 tt0 -60.31 -33.78 72.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.087 -0.506 . . . . 21.079999999999998 110.485 179.654 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 65' ' ' LEU . . . . . 0.85 HD12 ' HA ' ' C' ' 62' ' ' GLN . 8.5 mt -69.19 -29.03 66.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.078 0.466 . . . . 14.5 110.029 179.423 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 66' ' ' VAL . . . . . . . . . . . . . 58.9 t -80.68 -46.35 21.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.775 -0.648 . . . . 11.01 110.927 179.562 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 67' ' ' LYS . . . . . 0.452 ' HD2' ' CD ' ' D' ' 67' ' ' LYS . 7.6 ptmt -60.0 -45.94 91.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.224 -0.444 . . . . 19.98 110.491 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 68' ' ' LYS . . . . . . . . . . . . . 16.5 ttpp -61.19 -38.37 86.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.03 -0.532 . . . . 16.43 110.239 179.379 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 69' ' ' MET . . . . . . . . . . . . . 24.2 ttp -65.14 -42.07 94.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.994 -0.548 . . . . 6.9900000000000002 110.414 179.601 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 61.5 t -70.16 -41.93 79.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.01 -0.541 . . . . 5.5499999999999998 110.665 179.687 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 71' ' ' PHE . . . . . 0.42 ' O ' ' CB ' ' C' ' 75' ' ' LYS . 48.6 t80 -52.55 -60.8 2.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.246 -0.434 . . . . 8.6300000000000008 110.387 179.625 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.98 -45.73 67.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 9.0800000000000001 110.574 179.697 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 73' ' ' THR . . . . . 0.41 HG21 ' CE ' ' A' ' 69' ' ' MET . 17.8 m -61.9 -71.25 0.16 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.21 -0.45 . . . . 14.539999999999999 110.323 179.617 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 74' ' ' LEU . . . . . 0.539 HD12 ' HB2' ' D' ' 62' ' ' GLN . 20.9 mt -49.88 -37.13 29.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.094 -0.503 . . . . 18.039999999999999 111.086 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 75' ' ' LYS . . . . . 0.42 ' CB ' ' O ' ' C' ' 71' ' ' PHE . 9.2 ttpp -56.07 -68.02 0.24 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.158 0.504 . . . . 18.899999999999999 109.975 179.303 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 76' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -61.99 -29.48 70.28 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.493 -0.776 . . . . 14.300000000000001 110.994 179.766 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 77' ' ' LEU . . . . . 0.7 ' O ' HD12 ' C' ' 77' ' ' LEU . 0.7 OUTLIER -66.1 -55.08 18.26 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.48 -0.327 . . . . 19.850000000000001 110.541 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 78' ' ' TYR . . . . . 0.62 ' OH ' HG13 ' B' ' 70' ' ' VAL . 20.9 m-85 -62.43 -21.92 65.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.393 -0.367 . . . . 24.239999999999998 110.762 179.613 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.37 -31.13 68.25 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.296 -0.411 . . . . 27.620000000000001 110.615 179.66 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 4.2 ttmt -67.12 -26.7 66.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 27.780000000000001 111.014 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 81' ' ' THR . . . . . . . . . . . . . 2.6 p -82.18 -64.84 1.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.306 -0.407 . . . . 33.310000000000002 110.999 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 82' ' ' THR . . . . . . . . . . . . . 12.7 t . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.209 -0.9 . . . . 37.93 110.912 -179.937 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 52' ' ' ARG . . . . . . . . . . . . . 3.2 mtm180 . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.783 0.325 . . . . 45.380000000000003 111.243 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -103.58 20.63 17.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 41.200000000000003 111.138 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -63.22 -25.42 68.32 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.815 0.34 . . . . 35.369999999999997 110.771 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 55' ' ' ALA . . . . . 0.475 ' HA ' HD12 ' D' ' 58' ' ' LEU . . . -56.72 -40.61 75.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 33.700000000000003 111.229 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -65.77 -49.26 68.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 31.600000000000001 110.929 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 57' ' ' ARG . . . . . . . . . . . . . 6.5 mpt_? -50.98 -30.29 14.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.144 -0.48 . . . . 32.799999999999997 110.965 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 58' ' ' LEU . . . . . 0.762 HD22 HG23 ' B' ' 73' ' ' THR . 12.8 mt -77.53 -65.13 1.0 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 19.850000000000001 111.076 -179.769 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 59' ' ' ALA . . . . . . . . . . . . . . . -45.29 -27.92 0.73 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.063 -0.517 . . . . 17.68 111.312 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 60' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -71.61 -57.3 4.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.132 -0.486 . . . . 20.859999999999999 110.852 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 61' ' ' GLU . . . . . 0.409 ' HA ' ' CG ' ' D' ' 64' ' ' GLU . 2.3 mm-40 -63.94 -25.46 68.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 14.609999999999999 110.819 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 62' ' ' GLN . . . . . 0.539 ' HB2' HD12 ' C' ' 74' ' ' LEU . 2.5 mm-40 -75.24 -39.08 60.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.491 . . . . 14.19 110.833 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 63' ' ' SER . . . . . . . . . . . . . 2.6 p -69.07 -53.59 19.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.318 -0.401 . . . . 14.66 110.727 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 64' ' ' GLU . . . . . 0.409 ' CG ' ' HA ' ' D' ' 61' ' ' GLU . 0.0 OUTLIER -52.24 -35.78 50.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 14.050000000000001 110.613 179.736 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' D' D ' 65' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.95 -43.46 95.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.058 -0.519 . . . . 6.7599999999999998 110.802 179.749 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 66' ' ' VAL . . . . . 0.536 HG23 ' O ' ' D' ' 62' ' ' GLN . 60.1 t -63.26 -42.14 95.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.951 0.405 . . . . 7.7699999999999996 111.179 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 67' ' ' LYS . . . . . 0.452 ' CD ' ' HD2' ' C' ' 67' ' ' LYS . 13.4 tttt -54.12 -60.11 3.76 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.97 -0.559 . . . . 21.039999999999999 110.964 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 68' ' ' LYS . . . . . . . . . . . . . 5.9 mttp -52.1 -32.87 37.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.284 -0.416 . . . . 16.510000000000002 111.12 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 69' ' ' MET . . . . . . . . . . . . . 43.9 ttp -72.79 -51.26 19.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.372 -0.376 . . . . 12.539999999999999 110.97 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 70' ' ' VAL . . . . . 0.46 HG13 ' OH ' ' A' ' 78' ' ' TYR . 61.4 t -75.69 -17.01 15.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 14.65 111.491 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 71' ' ' PHE . . . . . 0.404 ' N ' ' O ' ' D' ' 67' ' ' LYS . 41.3 t80 -68.29 -54.39 17.84 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.896 0.379 . . . . 23.280000000000001 110.691 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -61.75 -43.04 99.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 27.489999999999998 110.8 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 73' ' ' THR . . . . . 0.829 HG23 HD22 ' B' ' 58' ' ' LEU . 51.9 m -54.25 -47.84 71.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.202 -0.453 . . . . 20.129999999999999 110.975 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 74' ' ' LEU . . . . . 0.525 ' HA ' HD12 ' D' ' 77' ' ' LEU . 25.0 mt -59.78 -39.42 84.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 23.609999999999999 110.844 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 75' ' ' LYS . . . . . . . . . . . . . 2.0 tptp -51.09 -46.14 61.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.964 0.411 . . . . 30.329999999999998 110.586 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 76' ' ' ASP . . . . . 0.4 ' HA ' ' HG2' ' D' ' 79' ' ' LYS . 0.7 OUTLIER -73.11 -25.19 60.77 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.835 -0.62 . . . . 31.34 110.702 179.587 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' D' D ' 77' ' ' LEU . . . . . 0.525 HD12 ' HA ' ' D' ' 74' ' ' LEU . 26.8 mt -72.62 -50.64 23.88 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.06 -0.518 . . . . 30.039999999999999 111.169 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 78' ' ' TYR . . . . . 0.575 ' HB3' ' HB1' ' C' ' 55' ' ' ALA . 8.3 m-85 -68.94 -57.55 5.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.104 -0.498 . . . . 33.68 111.37 -179.58 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 79' ' ' LYS . . . . . 0.4 ' HG2' ' HA ' ' D' ' 76' ' ' ASP . 0.1 OUTLIER -46.52 -31.46 2.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.404 -0.362 . . . . 37.950000000000003 111.22 -179.666 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' D' D ' 80' ' ' LYS . . . . . . . . . . . . . 5.2 tptt -63.2 -46.76 85.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 43.460000000000001 110.784 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 81' ' ' THR . . . . . . . . . . . . . 4.6 p -76.11 59.73 1.37 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.058 -0.519 . . . . 41.039999999999999 111.029 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 82' ' ' THR . . . . . . . . . . . . . 7.2 t . . . . . 0 C--O 1.248 0.978 0 CA-C-O 118.302 -0.856 . . . . 49.259999999999998 110.908 -180.0 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 17.0 ttt180 . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.849 0.356 . . . . 48.640000000000001 111.179 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 59.33 74.48 0.44 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.121 -0.49 . . . . 37.439999999999998 110.819 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.41 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 0.5 OUTLIER -58.55 -36.7 74.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 39.729999999999997 110.819 179.91 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.41 ' HB1' ' HB3' ' B' ' 78' ' ' TYR . . . -59.22 -40.4 85.73 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.203 -0.453 . . . . 31.219999999999999 110.872 179.804 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -67.64 -53.22 29.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.993 0.425 . . . . 27.960000000000001 110.45 179.63 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 1.5 ttp180 -59.55 -47.43 85.59 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.88 -0.6 . . . . 28.010000000000002 110.349 179.468 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' A' ' 54' ' ' ASP . 15.0 mt -53.68 -49.83 67.16 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.691 -0.686 . . . . 29.620000000000001 110.767 179.637 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -52.07 -41.43 62.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 24.760000000000002 110.806 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -73.97 -37.18 64.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.002 -0.545 . . . . 26.260000000000002 110.665 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -66.79 -44.41 81.35 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.129 -0.487 . . . . 25.57 110.736 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.586 ' HA ' HD12 ' A' ' 65' ' ' LEU . 1.9 mm-40 -68.83 -37.29 79.08 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.061 -0.518 . . . . 19.170000000000002 110.494 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 33.2 p -68.43 -35.66 77.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.006 -0.543 . . . . 16.129999999999999 110.666 179.743 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.87 -43.69 98.33 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.241 -0.436 . . . . 18.210000000000001 110.657 179.766 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.586 HD12 ' HA ' ' A' ' 62' ' ' GLN . 9.5 mt -57.71 -42.63 84.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.07 -0.513 . . . . 17.399999999999999 110.632 179.822 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 48.9 t -67.45 -47.1 81.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 9.8100000000000005 110.982 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 53.2 tttt -56.86 -59.98 4.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.439 . . . . 17.359999999999999 110.367 179.662 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 4.9 ttmt -54.13 -33.25 57.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 22.350000000000001 110.071 179.414 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 7.8 tmm? -66.66 -44.5 81.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.86 -0.609 . . . . 9.0700000000000003 110.212 179.506 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.43 HG13 ' HG ' ' A' ' 74' ' ' LEU . 66.0 t -68.66 -35.86 71.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.102 -0.499 . . . . 6.4100000000000001 110.491 179.494 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.487 ' CZ ' ' HD3' ' A' ' 75' ' ' LYS . 64.2 t80 -54.7 -58.71 6.45 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.068 -0.514 . . . . 17.329999999999998 110.216 179.614 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -53.27 -49.45 66.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.253 -0.431 . . . . 11.220000000000001 110.7 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 17.6 m -60.04 -69.68 0.2 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.269 -0.423 . . . . 11.52 110.3 179.768 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.511 HD23 HD23 ' A' ' 77' ' ' LEU . 16.6 mt -50.57 -36.37 34.36 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.996 -0.547 . . . . 18.449999999999999 111.211 -179.834 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.487 ' HD3' ' CZ ' ' A' ' 71' ' ' PHE . 7.6 ttpp -55.5 -69.35 0.14 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.094 0.473 . . . . 20.91 110.171 179.534 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.65 -26.73 68.19 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.635 -0.711 . . . . 16.050000000000001 110.878 179.801 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.631 ' C ' HD12 ' A' ' 77' ' ' LEU . 0.5 OUTLIER -67.83 -59.72 3.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.311 -0.404 . . . . 19.239999999999998 110.582 179.909 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.688 ' OH ' HG13 ' D' ' 70' ' ' VAL . 18.9 m-85 -59.18 -24.0 62.71 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.818 0.342 . . . . 26.149999999999999 110.671 179.678 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 7.0 mmtt -68.06 -34.17 75.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 27.34 110.591 179.747 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 18.9 tttt -69.53 -29.28 66.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.492 . . . . 30.579999999999998 110.974 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -64.81 -54.67 27.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 34.439999999999998 111.051 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 69.1 p . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.232 -0.89 . . . . 40.369999999999997 110.997 -179.866 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.8 0.333 . . . . 42.719999999999999 111.284 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -93.67 22.04 5.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.278 -0.419 . . . . 39.659999999999997 110.988 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.2 -27.82 69.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.348 -0.387 . . . . 33.270000000000003 110.762 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -54.47 -38.13 66.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 32.5 110.97 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.72 -45.32 52.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.042 -0.526 . . . . 30.059999999999999 110.792 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -53.8 -36.14 62.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 25.73 110.962 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 58' ' ' LEU . . . . . 0.914 HD22 HG23 ' D' ' 73' ' ' THR . 17.1 mt -74.2 -58.52 3.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 18.079999999999998 110.953 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -42.9 -30.12 0.38 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.063 -0.517 . . . . 19.09 111.117 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 60' ' ' ASP . . . . . 0.474 ' HA ' ' HG ' ' B' ' 63' ' ' SER . 40.1 t0 -85.11 -36.63 21.02 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.876 -0.602 . . . . 23.75 110.831 179.641 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 61' ' ' GLU . . . . . 0.417 ' N ' ' O ' ' B' ' 58' ' ' LEU . 12.6 tp10 -71.69 -47.94 50.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.053 0.454 . . . . 16.699999999999999 110.572 179.693 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 62' ' ' GLN . . . . . 0.486 ' HB2' ' CD1' ' A' ' 74' ' ' LEU . 2.0 mm-40 -68.95 -35.29 76.59 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.051 -0.522 . . . . 14.99 111.145 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 63' ' ' SER . . . . . 0.474 ' HG ' ' HA ' ' B' ' 60' ' ' ASP . 65.5 p -66.11 -54.94 19.38 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.696 0.284 . . . . 12.59 110.83 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 64' ' ' GLU . . . . . 0.44 ' HG3' ' N ' ' B' ' 65' ' ' LEU . 0.4 OUTLIER -52.15 -30.01 24.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.95 0.405 . . . . 7.7300000000000004 110.586 179.703 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 65' ' ' LEU . . . . . 0.44 ' N ' ' HG3' ' B' ' 64' ' ' GLU . 0.1 OUTLIER -67.26 -37.03 82.82 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.07 -0.514 . . . . 5.3600000000000003 110.805 179.661 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 66' ' ' VAL . . . . . 0.529 HG13 ' HE2' ' B' ' 69' ' ' MET . 3.5 t -67.24 -34.38 68.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 6.0999999999999996 111.113 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 2.7 ttpt -61.18 -62.29 1.95 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.204 -0.453 . . . . 15.65 110.899 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 9.3 ptmt -55.0 -26.65 38.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.881 0.372 . . . . 16.670000000000002 110.537 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 69' ' ' MET . . . . . 0.529 ' HE2' HG13 ' B' ' 66' ' ' VAL . 41.4 ttp -73.33 -53.29 11.14 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.154 -0.475 . . . . 13.109999999999999 110.793 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.72 HG13 ' OH ' ' C' ' 78' ' ' TYR . 66.4 t -76.65 -21.49 14.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 15.48 111.116 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 25.0 t80 -64.51 -45.15 88.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.93 0.395 . . . . 24.98 110.319 179.605 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -68.28 -41.77 80.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.017 -0.538 . . . . 28.800000000000001 110.463 179.578 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 73' ' ' THR . . . . . 0.884 HG23 HD22 ' D' ' 58' ' ' LEU . 29.0 m -56.85 -53.03 62.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.488 . . . . 22.149999999999999 110.759 179.672 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 74' ' ' LEU . . . . . 0.508 ' HA ' HD12 ' B' ' 77' ' ' LEU . 16.1 mt -57.02 -40.38 76.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.126 -0.488 . . . . 21.190000000000001 110.693 179.727 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 15.4 ttpp -49.55 -44.72 46.87 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.159 -0.473 . . . . 27.050000000000001 110.654 179.672 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -73.42 -37.93 65.72 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.816 -0.629 . . . . 31.449999999999999 110.299 179.536 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.508 HD12 ' HA ' ' B' ' 74' ' ' LEU . 11.3 mt -54.47 -51.44 65.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.005 -0.543 . . . . 30.960000000000001 110.514 179.679 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 78' ' ' TYR . . . . . 0.41 ' HB3' ' HB1' ' A' ' 55' ' ' ALA . 48.4 m-85 -73.91 -37.98 64.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.1 -0.5 . . . . 32.420000000000002 110.823 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 7.9 ttmm -60.91 -33.09 72.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 40.829999999999998 110.76 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.43 -23.44 49.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 40.0 110.871 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 6.5 t -163.41 121.46 1.93 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.279 -0.419 . . . . 40.850000000000001 110.834 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.995 0 CA-C-O 118.191 -0.909 . . . . 45.789999999999999 110.929 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 52' ' ' ARG . . . . . . . . . . . . . 17.2 ttt180 . . . . . 0 N--CA 1.487 1.401 0 CA-C-O 120.849 0.357 . . . . 46.380000000000003 111.192 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 59.57 73.96 0.46 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.496 . . . . 42.079999999999998 110.975 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 54' ' ' ASP . . . . . 0.4 ' O ' ' HG ' ' C' ' 58' ' ' LEU . 0.5 OUTLIER -58.12 -37.08 73.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 39.890000000000001 110.74 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.88 -40.48 84.51 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.256 -0.429 . . . . 35.520000000000003 110.907 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -67.71 -52.8 33.46 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.317 -0.401 . . . . 30.829999999999998 110.461 179.67 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 57' ' ' ARG . . . . . . . . . . . . . 1.5 ttp180 -59.99 -47.17 86.95 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.928 -0.578 . . . . 39.079999999999998 110.286 179.527 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 58' ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' C' ' 54' ' ' ASP . 14.8 mt -53.72 -50.06 66.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.683 -0.689 . . . . 26.890000000000001 110.766 179.677 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.88 -41.52 61.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.134 -0.485 . . . . 20.539999999999999 110.887 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -73.92 -37.09 64.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.093 -0.503 . . . . 19.859999999999999 110.757 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -66.87 -44.27 81.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 22.16 110.781 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 62' ' ' GLN . . . . . 0.598 ' HA ' HD12 ' C' ' 65' ' ' LEU . 2.0 mm-40 -68.88 -37.48 79.07 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.058 -0.519 . . . . 24.760000000000002 110.515 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 63' ' ' SER . . . . . 0.407 ' HB2' ' HG2' ' D' ' 67' ' ' LYS . 34.4 p -68.29 -35.73 78.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.985 -0.552 . . . . 17.949999999999999 110.617 179.797 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.95 -43.48 98.75 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.239 -0.437 . . . . 26.640000000000001 110.631 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 65' ' ' LEU . . . . . 0.598 HD12 ' HA ' ' C' ' 62' ' ' GLN . 9.5 mt -57.99 -42.47 85.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.09 -0.504 . . . . 18.100000000000001 110.69 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 66' ' ' VAL . . . . . . . . . . . . . 50.1 t -67.47 -47.23 81.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.12 -0.491 . . . . 14.98 110.945 179.709 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 67' ' ' LYS . . . . . . . . . . . . . 53.5 tttt -56.67 -60.33 3.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.274 -0.421 . . . . 10.58 110.346 179.577 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 68' ' ' LYS . . . . . . . . . . . . . 4.9 ttmt -53.9 -33.27 56.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 12.56 110.147 179.401 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 69' ' ' MET . . . . . . . . . . . . . 7.6 tmm? -66.55 -44.55 82.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.84 -0.618 . . . . 8.2400000000000002 110.223 179.535 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 70' ' ' VAL . . . . . 0.436 HG13 ' HG ' ' C' ' 74' ' ' LEU . 71.6 t -68.58 -36.22 73.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.063 -0.517 . . . . 9.2599999999999998 110.471 179.535 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 71' ' ' PHE . . . . . 0.483 ' CZ ' ' HD3' ' C' ' 75' ' ' LYS . 64.6 t80 -54.14 -58.89 5.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.055 -0.521 . . . . 13.4 110.273 179.621 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -53.1 -49.51 66.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 12.9 110.669 179.757 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 73' ' ' THR . . . . . . . . . . . . . 17.7 m -60.16 -69.47 0.22 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.311 -0.404 . . . . 11.68 110.37 179.671 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 74' ' ' LEU . . . . . 0.489 HD23 HD23 ' C' ' 77' ' ' LEU . 16.2 mt -50.82 -36.37 37.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.063 -0.517 . . . . 13.51 111.092 -179.784 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 75' ' ' LYS . . . . . 0.483 ' HD3' ' CZ ' ' C' ' 71' ' ' PHE . 7.6 ttpp -55.45 -69.4 0.14 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.093 0.473 . . . . 13.75 110.229 179.497 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 76' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.37 -26.98 68.19 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.692 -0.685 . . . . 17.149999999999999 110.923 179.663 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 77' ' ' LEU . . . . . 0.643 ' C ' HD12 ' C' ' 77' ' ' LEU . 0.5 OUTLIER -67.72 -59.89 2.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.304 -0.407 . . . . 21.18 110.615 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 78' ' ' TYR . . . . . 0.72 ' OH ' HG13 ' B' ' 70' ' ' VAL . 19.1 m-85 -59.22 -23.51 62.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.492 -0.322 . . . . 25.280000000000001 110.619 179.732 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 6.9 mmtt -68.47 -34.04 75.23 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.307 -0.406 . . . . 28.23 110.65 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 19.0 tttt -69.54 -29.39 66.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.045 -0.525 . . . . 27.829999999999998 110.891 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -64.67 -54.8 25.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 33.899999999999999 111.089 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 82' ' ' THR . . . . . . . . . . . . . 70.4 p . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.22 -0.895 . . . . 37.100000000000001 111.048 179.993 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.815 0.34 . . . . 44.850000000000001 111.162 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 53' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -93.73 22.13 5.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 38.770000000000003 110.945 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.42 -27.78 69.23 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.392 -0.367 . . . . 33.539999999999999 110.75 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 55' ' ' ALA . . . . . . . . . . . . . . . -54.55 -38.28 66.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.479 . . . . 30.329999999999998 110.853 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.58 -45.2 54.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 32.090000000000003 110.786 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 57' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -54.04 -35.87 62.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.485 . . . . 29.16 110.888 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 58' ' ' LEU . . . . . 0.884 HD22 HG23 ' B' ' 73' ' ' THR . 17.6 mt -74.41 -58.59 3.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 22.27 110.904 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 59' ' ' ALA . . . . . . . . . . . . . . . -42.92 -30.02 0.37 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.042 -0.526 . . . . 19.739999999999998 111.109 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 60' ' ' ASP . . . . . 0.451 ' HA ' ' HG ' ' D' ' 63' ' ' SER . 40.1 t0 -85.22 -36.56 20.88 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.907 -0.588 . . . . 18.199999999999999 110.863 179.658 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 61' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' D' ' 58' ' ' LEU . 12.6 tp10 -71.68 -47.95 50.76 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.185 -0.461 . . . . 11.66 110.581 179.564 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 62' ' ' GLN . . . . . 0.487 ' HB2' ' CD1' ' C' ' 74' ' ' LEU . 1.9 mm-40 -69.03 -35.35 76.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.056 -0.52 . . . . 10.949999999999999 111.154 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 63' ' ' SER . . . . . 0.451 ' HG ' ' HA ' ' D' ' 60' ' ' ASP . 65.4 p -65.99 -54.94 19.67 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.712 0.292 . . . . 16.640000000000001 110.798 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 64' ' ' GLU . . . . . 0.444 ' HG3' ' N ' ' D' ' 65' ' ' LEU . 0.4 OUTLIER -52.28 -29.87 25.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.871 0.367 . . . . 16.530000000000001 110.594 179.695 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' D' D ' 65' ' ' LEU . . . . . 0.444 ' N ' ' HG3' ' D' ' 64' ' ' GLU . 0.1 OUTLIER -67.51 -36.91 81.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.109 -0.496 . . . . 10.039999999999999 110.712 179.78 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' D' D ' 66' ' ' VAL . . . . . 0.535 HG13 ' HE2' ' D' ' 69' ' ' MET . 3.6 t -67.33 -34.44 68.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.197 -0.456 . . . . 8.5800000000000001 111.087 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 67' ' ' LYS . . . . . 0.407 ' HG2' ' HB2' ' C' ' 63' ' ' SER . 2.6 ttpt -61.31 -61.97 2.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 14.699999999999999 110.934 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 68' ' ' LYS . . . . . . . . . . . . . 9.2 ptmt -55.21 -26.67 40.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.829 0.347 . . . . 8.4600000000000009 110.49 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 69' ' ' MET . . . . . 0.535 ' HE2' HG13 ' D' ' 66' ' ' VAL . 41.7 ttp -73.45 -53.15 11.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.068 -0.514 . . . . 10.949999999999999 110.774 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 70' ' ' VAL . . . . . 0.688 HG13 ' OH ' ' A' ' 78' ' ' TYR . 67.8 t -76.72 -21.33 14.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 10.75 111.145 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 25.6 t80 -64.87 -44.71 88.79 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.351 -0.386 . . . . 17.989999999999998 110.42 179.629 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -68.54 -41.6 79.65 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.084 -0.507 . . . . 23.510000000000002 110.448 179.506 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 73' ' ' THR . . . . . 0.914 HG23 HD22 ' B' ' 58' ' ' LEU . 29.1 m -56.98 -53.14 61.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.09 -0.505 . . . . 23.440000000000001 110.629 179.722 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 74' ' ' LEU . . . . . 0.501 ' HA ' HD12 ' D' ' 77' ' ' LEU . 16.4 mt -56.99 -40.47 76.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 27.219999999999999 110.57 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 75' ' ' LYS . . . . . . . . . . . . . 15.4 ttpp -49.44 -44.82 45.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 28.870000000000001 110.563 179.747 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 76' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -73.2 -38.14 66.21 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.903 -0.589 . . . . 28.649999999999999 110.413 179.466 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 77' ' ' LEU . . . . . 0.501 HD12 ' HA ' ' D' ' 74' ' ' LEU . 11.4 mt -54.39 -51.12 65.84 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.94 -0.573 . . . . 28.73 110.675 179.663 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 78' ' ' TYR . . . . . . . . . . . . . 47.3 m-85 -74.05 -38.2 64.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.052 -0.522 . . . . 34.350000000000001 110.777 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 79' ' ' LYS . . . . . . . . . . . . . 8.0 ttmm -60.88 -33.14 72.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.058 -0.519 . . . . 43.200000000000003 110.8 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 80' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.33 -23.55 49.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 42.600000000000001 110.845 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 81' ' ' THR . . . . . . . . . . . . . 6.6 t -163.31 121.34 1.95 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.236 -0.438 . . . . 41.030000000000001 110.92 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 82' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.001 0 CA-C-O 118.34 -0.838 . . . . 46.409999999999997 110.844 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 11.9 ptm180 . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.817 0.341 . . . . 44.950000000000003 111.217 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 48.8 t-20 -137.77 63.91 1.53 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.473 . . . . 40.869999999999997 110.902 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.405 ' O ' ' HB2' ' A' ' 58' ' ' LEU . 1.1 m-20 -61.58 -26.77 68.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.457 . . . . 39.57 110.988 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.422 ' HB1' ' CB ' ' B' ' 78' ' ' TYR . . . -55.14 -35.92 65.22 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.45 -0.341 . . . . 34.939999999999998 111.121 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -64.86 -56.61 12.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 30.09 110.89 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.454 ' HG3' ' N ' ' A' ' 58' ' ' LEU . 3.4 ptt180 -66.89 -48.37 68.92 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.92 -0.582 . . . . 39.32 110.444 179.812 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.48 HD23 ' O ' ' A' ' 58' ' ' LEU . 0.3 OUTLIER -51.38 -43.82 62.0 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.738 -0.665 . . . . 27.43 110.396 179.344 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.19 -40.67 82.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.014 -0.539 . . . . 21.149999999999999 111.009 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -55.29 -40.2 70.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.039 -0.528 . . . . 18.620000000000001 110.836 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.74 -58.53 7.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 20.52 110.838 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.679 ' HA ' HD12 ' A' ' 65' ' ' LEU . 6.2 mp0 -51.0 -52.68 40.41 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.99 -0.55 . . . . 24.16 110.761 179.82 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 96.7 p -55.25 -30.4 59.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.121 -0.491 . . . . 18.399999999999999 110.834 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 54.8 tt0 -67.78 -50.46 56.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 26.32 110.764 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.679 HD12 ' HA ' ' A' ' 62' ' ' GLN . 3.7 mt -53.47 -39.54 64.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 19.309999999999999 110.719 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 59.1 t -69.05 -44.25 81.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.068 -0.515 . . . . 15.24 110.921 179.743 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.403 ' HG3' ' HB3' ' B' ' 63' ' ' SER . 19.0 tttt -61.0 -51.28 69.89 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.052 -0.522 . . . . 8.8599999999999994 110.629 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.2 ttpt -56.63 -29.41 62.18 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.195 -0.457 . . . . 14.09 110.389 179.588 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 50.2 ttp -70.0 -42.41 73.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.988 -0.551 . . . . 8.3000000000000007 110.596 179.732 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 59.6 t -70.12 -42.87 79.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.082 -0.508 . . . . 9.3499999999999996 110.763 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.407 ' O ' ' HB2' ' A' ' 75' ' ' LYS . 46.3 t80 -50.61 -61.6 2.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.462 -0.335 . . . . 15.359999999999999 110.514 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -50.72 -45.14 58.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.351 -0.386 . . . . 14.26 110.517 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.1 m -62.3 -72.44 0.13 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.035 -0.529 . . . . 10.51 110.219 179.494 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.787 HD12 ' HB2' ' B' ' 62' ' ' GLN . 12.7 mt -49.53 -34.29 16.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.102 -0.499 . . . . 13.06 111.078 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.407 ' HB2' ' O ' ' A' ' 71' ' ' PHE . 2.3 ttpt -54.18 -67.6 0.25 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.104 -0.498 . . . . 14.949999999999999 110.301 179.697 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -64.71 -31.17 72.27 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.739 -0.664 . . . . 18.309999999999999 111.089 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.649 ' O ' HD12 ' A' ' 77' ' ' LEU . 0.9 OUTLIER -65.07 -57.53 8.39 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.348 -0.387 . . . . 21.59 110.824 -179.854 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.491 ' OH ' HD13 ' A' ' 74' ' ' LEU . 22.1 m-30 -61.23 -22.78 65.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.373 -0.376 . . . . 26.350000000000001 110.929 179.735 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -71.48 -32.39 68.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.374 -0.375 . . . . 24.460000000000001 110.588 179.793 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.4 -39.69 85.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 29.510000000000002 110.85 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -56.4 -81.21 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.18 -0.464 . . . . 33.939999999999998 110.877 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 5.4 t . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.245 -0.884 . . . . 38.990000000000002 110.888 179.984 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 30.4 mmt180 . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.864 0.364 . . . . 43.380000000000003 111.173 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 51.2 t30 -123.13 20.78 9.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.151 -0.477 . . . . 38.310000000000002 111.061 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.85 -28.53 66.17 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.354 -0.385 . . . . 33.119999999999997 110.662 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.1 -45.08 83.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.089 -0.505 . . . . 29.59 110.892 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -64.68 -56.07 16.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.015 -0.539 . . . . 34.219999999999999 110.691 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 28.8 mtt-85 -52.01 -28.62 17.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 26.57 110.478 179.672 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 58' ' ' LEU . . . . . 0.461 HD22 HG23 ' D' ' 73' ' ' THR . 14.9 mt -71.05 -60.05 2.45 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.976 -0.556 . . . . 22.469999999999999 110.621 179.707 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -49.29 -38.05 26.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.904 -0.589 . . . . 20.16 110.901 179.624 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -59.09 -45.19 91.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.071 -0.513 . . . . 19.68 110.451 179.764 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -62.02 -40.83 97.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.091 -0.504 . . . . 12.199999999999999 110.446 179.602 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 62' ' ' GLN . . . . . 0.831 ' O ' HG23 ' B' ' 66' ' ' VAL . 2.4 mm-40 -66.39 -46.3 77.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.026 -0.534 . . . . 10.83 110.505 179.629 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 63' ' ' SER . . . . . 0.403 ' HB3' ' HG3' ' A' ' 67' ' ' LYS . 1.4 m -55.7 -65.02 0.67 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.015 -0.539 . . . . 16.600000000000001 110.805 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 64' ' ' GLU . . . . . 0.43 ' HG3' ' N ' ' B' ' 65' ' ' LEU . 1.3 pt-20 -49.43 -30.52 8.11 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.253 -0.431 . . . . 16.039999999999999 110.861 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 65' ' ' LEU . . . . . 0.43 ' N ' ' HG3' ' B' ' 64' ' ' GLU . 0.2 OUTLIER -72.19 -42.79 65.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 10.26 110.546 179.717 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 66' ' ' VAL . . . . . 0.831 HG23 ' O ' ' B' ' 62' ' ' GLN . 19.0 t -63.79 -34.28 67.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.123 -0.49 . . . . 8.0600000000000005 110.991 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 12.6 ttpt -64.11 -51.81 62.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 11.359999999999999 110.802 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.7 -32.03 68.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.284 -0.416 . . . . 9.1500000000000004 110.706 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 69' ' ' MET . . . . . 0.417 ' CE ' ' HB3' ' D' ' 62' ' ' GLN . 29.2 ttp -71.5 -50.59 29.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 11.07 110.79 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 93.0 t -75.59 -23.18 16.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.098 -0.501 . . . . 10.710000000000001 111.06 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -63.47 -44.19 95.16 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.294 -0.412 . . . . 17.780000000000001 110.668 179.767 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 43.6 t0 -69.94 -41.14 74.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 23.390000000000001 110.683 179.751 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 73' ' ' THR . . . . . 0.469 HG21 ' CZ ' ' C' ' 78' ' ' TYR . 99.4 m -54.6 -59.08 5.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 24.420000000000002 110.836 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 74' ' ' LEU . . . . . 0.64 HD23 HD12 ' B' ' 77' ' ' LEU . 72.8 mt -50.6 -38.44 45.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 27.059999999999999 110.805 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 44.9 tttm -52.93 -51.81 60.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.032 0.444 . . . . 28.93 110.628 179.753 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -68.49 -32.4 72.35 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.858 -0.61 . . . . 28.23 110.672 179.725 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.64 HD12 HD23 ' B' ' 74' ' ' LEU . 20.7 mt -61.74 -44.99 95.83 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.054 -0.521 . . . . 28.77 110.579 179.795 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 78' ' ' TYR . . . . . 0.422 ' CB ' ' HB1' ' A' ' 55' ' ' ALA . 4.5 m-85 -84.12 -27.33 28.25 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.006 -0.543 . . . . 34.060000000000002 110.747 179.814 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -53.52 -26.52 21.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.058 -0.519 . . . . 43.299999999999997 110.738 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 2.4 mttt -58.03 -58.06 10.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 42.659999999999997 110.742 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -68.37 63.4 0.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.091 -0.504 . . . . 42.539999999999999 110.907 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 9.1 t . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.21 -0.9 . . . . 50.409999999999997 110.882 179.978 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 52' ' ' ARG . . . . . . . . . . . . . 11.9 ptm180 . . . . . 0 N--CA 1.487 1.421 0 CA-C-O 120.848 0.356 . . . . 46.640000000000001 111.33 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 53' ' ' ASN . . . . . . . . . . . . . 48.8 t-20 -137.89 64.12 1.52 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.074 -0.512 . . . . 35.969999999999999 110.886 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.69 -26.86 68.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.105 -0.498 . . . . 37.57 111.011 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.06 -35.88 64.98 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.843 0.354 . . . . 30.079999999999998 111.141 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -64.97 -56.44 13.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 27.079999999999998 110.949 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 57' ' ' ARG . . . . . 0.447 ' HG3' ' N ' ' C' ' 58' ' ' LEU . 3.4 ptt180 -67.12 -48.16 68.94 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.954 -0.566 . . . . 27.350000000000001 110.362 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 58' ' ' LEU . . . . . 0.476 ' O ' HD23 ' C' ' 58' ' ' LEU . 0.3 OUTLIER -51.53 -43.72 62.39 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.748 -0.66 . . . . 27.52 110.396 179.417 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.35 -40.67 82.8 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.998 -0.546 . . . . 24.829999999999998 110.975 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -55.15 -40.21 70.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.108 -0.497 . . . . 26.920000000000002 110.9 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.59 -58.71 7.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 28.149999999999999 110.893 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 62' ' ' GLN . . . . . 0.667 ' HA ' HD12 ' C' ' 65' ' ' LEU . 6.2 mp0 -50.96 -52.59 40.98 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.951 -0.568 . . . . 19.969999999999999 110.755 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 63' ' ' SER . . . . . . . . . . . . . 98.6 p -55.24 -30.57 60.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.081 -0.509 . . . . 16.07 110.762 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 54.6 tt0 -67.72 -50.28 58.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 18.59 110.816 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 65' ' ' LEU . . . . . 0.667 HD12 ' HA ' ' C' ' 62' ' ' GLN . 3.7 mt -53.61 -39.7 65.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 16.5 110.637 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 66' ' ' VAL . . . . . . . . . . . . . 55.1 t -69.09 -44.01 81.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 10.1 110.951 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 67' ' ' LYS . . . . . 0.435 ' HG3' ' HB3' ' D' ' 63' ' ' SER . 18.9 tttt -61.14 -51.17 70.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.996 -0.547 . . . . 18.829999999999998 110.561 179.83 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 68' ' ' LYS . . . . . . . . . . . . . 1.2 ttpt -56.73 -29.55 62.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.291 -0.413 . . . . 21.739999999999998 110.371 179.627 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 69' ' ' MET . . . . . . . . . . . . . 50.6 ttp -69.76 -42.5 73.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.958 -0.565 . . . . 8.2100000000000009 110.646 179.674 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 63.5 t -70.09 -42.99 79.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.139 -0.482 . . . . 4.9100000000000001 110.762 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 71' ' ' PHE . . . . . 0.406 ' O ' ' HB2' ' C' ' 75' ' ' LYS . 46.6 t80 -50.47 -61.44 2.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.462 -0.336 . . . . 14.68 110.604 179.833 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -50.84 -45.08 59.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.346 -0.388 . . . . 7.2400000000000002 110.529 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 73' ' ' THR . . . . . . . . . . . . . 18.1 m -62.32 -72.46 0.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.067 -0.515 . . . . 12.93 110.314 179.465 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 74' ' ' LEU . . . . . 0.779 HD12 ' HB2' ' D' ' 62' ' ' GLN . 13.2 mt -49.7 -34.14 17.9 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.154 -0.475 . . . . 18.91 111.006 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 75' ' ' LYS . . . . . 0.406 ' HB2' ' O ' ' C' ' 71' ' ' PHE . 2.3 ttpt -54.18 -67.58 0.25 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.19 -0.459 . . . . 19.25 110.283 179.632 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 76' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -64.78 -31.18 72.29 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.736 -0.666 . . . . 15.449999999999999 111.072 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 77' ' ' LEU . . . . . 0.635 ' O ' HD12 ' C' ' 77' ' ' LEU . 0.9 OUTLIER -65.15 -57.32 8.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.355 -0.384 . . . . 19.510000000000002 110.804 -179.832 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 78' ' ' TYR . . . . . 0.507 ' OH ' HD13 ' C' ' 74' ' ' LEU . 22.1 m-30 -61.33 -22.87 65.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.361 -0.381 . . . . 25.890000000000001 110.902 179.704 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -71.54 -32.02 67.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.388 -0.369 . . . . 27.309999999999999 110.601 179.829 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.55 -39.95 84.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.276 -0.42 . . . . 30.329999999999998 110.834 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 81' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -56.22 -81.2 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.067 -0.515 . . . . 34.189999999999998 110.939 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 82' ' ' THR . . . . . . . . . . . . . 5.4 t . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.216 -0.897 . . . . 40.159999999999997 110.924 179.923 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 52' ' ' ARG . . . . . . . . . . . . . 30.6 mmt180 . . . . . 0 N--CA 1.487 1.398 0 CA-C-O 120.843 0.354 . . . . 43.420000000000002 111.166 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 53' ' ' ASN . . . . . . . . . . . . . 51.2 t30 -123.18 20.61 9.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 40.509999999999998 111.037 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.67 -28.62 65.9 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.372 -0.376 . . . . 34.310000000000002 110.662 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.09 -45.0 83.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.065 -0.516 . . . . 33.380000000000003 110.895 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -64.83 -56.1 15.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.016 -0.538 . . . . 31.949999999999999 110.635 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 57' ' ' ARG . . . . . . . . . . . . . 29.7 mtt-85 -51.96 -28.72 17.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 26.109999999999999 110.489 179.66 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 58' ' ' LEU . . . . . 0.419 HD22 HG23 ' B' ' 73' ' ' THR . 14.8 mt -70.96 -59.93 2.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.944 -0.571 . . . . 18.829999999999998 110.555 179.683 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 59' ' ' ALA . . . . . . . . . . . . . . . -49.47 -37.95 28.09 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.873 -0.603 . . . . 18.129999999999999 110.889 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 60' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -59.21 -45.04 92.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.045 -0.525 . . . . 23.210000000000001 110.58 179.731 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 61' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -62.1 -40.98 97.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.064 -0.516 . . . . 16.489999999999998 110.451 179.667 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 62' ' ' GLN . . . . . 0.839 ' O ' HG23 ' D' ' 66' ' ' VAL . 2.6 mm-40 -66.22 -46.4 77.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.95 -0.568 . . . . 15.140000000000001 110.512 179.647 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 63' ' ' SER . . . . . 0.435 ' HB3' ' HG3' ' C' ' 67' ' ' LYS . 1.4 m -55.69 -64.7 0.77 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.949 -0.569 . . . . 13.75 110.885 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 64' ' ' GLU . . . . . 0.434 ' HG3' ' N ' ' D' ' 65' ' ' LEU . 1.3 pt-20 -49.61 -30.67 9.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.285 -0.416 . . . . 10.31 110.712 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 65' ' ' LEU . . . . . 0.434 ' N ' ' HG3' ' D' ' 64' ' ' GLU . 0.2 OUTLIER -71.93 -42.7 66.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.118 -0.492 . . . . 5.2699999999999996 110.533 179.688 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' D' D ' 66' ' ' VAL . . . . . 0.839 HG23 ' O ' ' D' ' 62' ' ' GLN . 18.9 t -63.88 -34.21 66.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 7.0599999999999996 111.049 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 67' ' ' LYS . . . . . . . . . . . . . 12.6 ttpt -64.29 -51.69 62.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.098 -0.501 . . . . 18.59 110.806 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.85 -31.97 69.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.424 . . . . 18.559999999999999 110.805 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 69' ' ' MET . . . . . 0.436 ' CE ' ' HB3' ' B' ' 62' ' ' GLN . 30.1 ttp -71.65 -50.36 31.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.059 -0.519 . . . . 12.83 110.795 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 70' ' ' VAL . . . . . . . . . . . . . 91.8 t -75.77 -23.23 16.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.054 -0.521 . . . . 15.35 111.044 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -63.42 -44.15 95.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.313 -0.403 . . . . 24.859999999999999 110.635 179.764 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 43.9 t0 -69.94 -40.95 75.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.106 -0.497 . . . . 28.140000000000001 110.751 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 73' ' ' THR . . . . . 0.472 HG21 ' CZ ' ' A' ' 78' ' ' TYR . 99.4 m -54.86 -59.14 5.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.131 -0.486 . . . . 21.030000000000001 110.799 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 74' ' ' LEU . . . . . 0.65 HD23 HD12 ' D' ' 77' ' ' LEU . 72.7 mt -50.27 -38.78 42.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.434 . . . . 21.289999999999999 110.786 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 75' ' ' LYS . . . . . . . . . . . . . 44.9 tttm -52.64 -51.98 57.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 27.859999999999999 110.652 179.758 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 76' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -68.5 -32.33 72.23 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.876 -0.602 . . . . 31.219999999999999 110.605 179.725 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 77' ' ' LEU . . . . . 0.65 HD12 HD23 ' D' ' 74' ' ' LEU . 20.3 mt -61.77 -44.79 96.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 30.800000000000001 110.581 179.743 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 78' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -84.45 -27.16 27.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.036 -0.529 . . . . 33.119999999999997 110.647 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 79' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -53.62 -26.55 22.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 39.170000000000002 110.794 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 80' ' ' LYS . . . . . 0.411 ' O ' ' N ' ' D' ' 82' ' ' THR . 2.4 mttt -57.89 -58.13 9.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 41.68 110.729 179.798 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 81' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -68.37 63.34 0.1 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.087 -0.506 . . . . 42.490000000000002 110.953 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 82' ' ' THR . . . . . 0.411 ' N ' ' O ' ' D' ' 80' ' ' LYS . 9.3 t . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.268 -0.872 . . . . 49.520000000000003 110.881 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 27.8 ptt180 . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.764 0.316 . . . . 49.030000000000001 111.247 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -144.06 79.35 1.61 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.302 -0.408 . . . . 37.780000000000001 110.897 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.402 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 42.6 m-20 -66.13 -26.48 67.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 40.329999999999998 110.908 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.769 ' HB1' ' HB3' ' B' ' 78' ' ' TYR . . . -60.04 -35.73 75.75 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.371 -0.377 . . . . 31.690000000000001 110.799 179.807 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -70.66 -55.29 9.07 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.193 -0.458 . . . . 29.149999999999999 110.446 179.674 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.09 -42.78 99.14 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.912 -0.585 . . . . 28.550000000000001 110.339 179.574 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.47 HD23 ' HA ' ' A' ' 58' ' ' LEU . 16.2 mt -57.79 -50.13 74.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.767 -0.651 . . . . 30.420000000000002 110.762 179.648 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -49.99 -36.11 27.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.235 -0.439 . . . . 25.120000000000001 110.876 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -71.37 -32.03 68.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.129 -0.487 . . . . 25.550000000000001 110.518 179.739 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -72.54 -42.68 64.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.076 -0.511 . . . . 26.969999999999999 110.503 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.729 ' HA ' HD12 ' A' ' 65' ' ' LEU . 42.5 mm-40 -62.64 -49.23 76.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.917 -0.583 . . . . 19.0 110.507 179.725 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.0 m -58.93 -35.14 72.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.104 -0.498 . . . . 16.140000000000001 110.512 179.686 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.6 -47.83 84.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.043 -0.526 . . . . 18.309999999999999 110.511 179.691 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.729 HD12 ' HA ' ' A' ' 62' ' ' GLN . 2.8 mt -57.82 -39.69 78.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 18.109999999999999 110.382 179.736 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.448 ' O ' HG23 ' A' ' 70' ' ' VAL . 55.7 t -71.52 -51.58 32.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.048 -0.524 . . . . 10.02 110.839 179.639 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 6.9 tttt -57.23 -46.07 83.32 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.176 -0.465 . . . . 16.920000000000002 110.406 179.587 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 15.0 ttmt -65.32 -39.5 92.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 22.190000000000001 110.207 179.465 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 5.4 tmm? -64.06 -37.43 87.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.841 -0.618 . . . . 9.3399999999999999 110.265 179.488 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.45 HG13 ' HG ' ' A' ' 74' ' ' LEU . 75.7 t -72.78 -38.01 56.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.006 -0.543 . . . . 6.8099999999999996 110.765 179.76 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.51 ' CE1' ' HD3' ' A' ' 75' ' ' LYS . 10.3 t80 -54.73 -56.85 14.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.461 -0.336 . . . . 18.079999999999998 110.518 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -53.81 -45.3 70.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.259 -0.428 . . . . 12.140000000000001 110.558 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.3 m -65.52 -67.4 0.44 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 11.109999999999999 110.279 179.635 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.471 ' HB3' ' CE2' ' A' ' 78' ' ' TYR . 12.2 mt -50.69 -36.97 38.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.309 -0.405 . . . . 18.260000000000002 110.826 179.842 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.51 ' HD3' ' CE1' ' A' ' 71' ' ' PHE . 3.9 ttpp -54.31 -69.29 0.13 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.128 -0.487 . . . . 21.350000000000001 110.115 179.41 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -62.07 -32.45 72.98 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.626 -0.715 . . . . 16.690000000000001 110.952 179.719 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.748 ' O ' HD12 ' A' ' 77' ' ' LEU . 0.7 OUTLIER -61.81 -52.5 63.93 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.433 -0.349 . . . . 19.390000000000001 110.451 179.867 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.515 ' CD1' HD11 ' D' ' 77' ' ' LEU . 20.6 m-85 -65.59 -19.84 66.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.302 -0.408 . . . . 26.34 110.751 179.434 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 5.7 ttmm -74.64 -27.63 60.52 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.259 -0.428 . . . . 27.309999999999999 110.614 179.556 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.48 -28.47 63.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 30.859999999999999 110.914 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.48 -79.89 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 34.240000000000002 110.951 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.657 ' HA ' HG21 ' D' ' 81' ' ' THR . 52.9 p . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.182 -0.913 . . . . 41.240000000000002 111.05 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 8.6 mtt180 . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.781 0.324 . . . . 46.890000000000001 111.223 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -148.35 -179.17 6.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 39.859999999999999 110.955 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -50.62 -39.36 50.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.067 -0.515 . . . . 32.979999999999997 110.837 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -54.7 -29.31 52.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.092 -0.503 . . . . 31.989999999999998 111.027 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -73.8 -54.36 8.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 29.149999999999999 110.907 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 5.7 mtm-85 -53.24 -43.23 67.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 22.309999999999999 110.868 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 58' ' ' LEU . . . . . 0.898 HD22 HG23 ' D' ' 73' ' ' THR . 81.8 mt -59.34 -59.56 5.26 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.129 -0.487 . . . . 17.870000000000001 110.734 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -49.02 -30.88 6.66 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.998 -0.546 . . . . 18.739999999999998 111.022 179.733 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 39.7 t0 -71.76 -62.23 1.49 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 23.079999999999998 110.712 179.703 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -57.41 -37.57 72.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 17.039999999999999 110.557 179.738 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 62' ' ' GLN . . . . . 0.447 ' O ' HG23 ' B' ' 66' ' ' VAL . 0.1 OUTLIER -71.14 -41.98 69.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.025 -0.534 . . . . 14.92 110.686 179.731 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 81.2 p -68.66 -56.33 8.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.235 -0.439 . . . . 12.69 110.773 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -49.96 -30.76 11.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.299 -0.41 . . . . 7.71 110.597 179.602 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.75 -44.22 86.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.972 -0.558 . . . . 5.6600000000000001 110.58 179.629 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 66' ' ' VAL . . . . . 0.447 HG23 ' O ' ' B' ' 62' ' ' GLN . 13.3 t -60.93 -33.05 54.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.017 -0.538 . . . . 5.9500000000000002 110.881 179.751 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 4.9 ttmt -61.75 -62.83 1.52 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.044 -0.525 . . . . 15.539999999999999 110.667 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 18.1 mttt -55.35 -27.12 45.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.22 -0.445 . . . . 18.379999999999999 110.481 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 69' ' ' MET . . . . . . . . . . . . . 29.4 ttp -74.88 -52.42 11.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 12.91 110.649 179.733 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.433 HG23 ' O ' ' B' ' 66' ' ' VAL . 59.9 t -73.57 -22.91 19.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.09 -0.504 . . . . 15.199999999999999 110.899 179.722 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -66.14 -45.34 81.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.329 -0.396 . . . . 24.780000000000001 110.376 179.582 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -63.78 -41.62 97.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.086 -0.506 . . . . 28.239999999999998 110.497 179.6 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 73' ' ' THR . . . . . 0.906 HG23 HD22 ' D' ' 58' ' ' LEU . 74.1 m -60.62 -57.31 13.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.112 -0.495 . . . . 22.260000000000002 110.839 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 74' ' ' LEU . . . . . 0.607 ' HA ' HD12 ' B' ' 77' ' ' LEU . 30.4 mt -51.15 -42.85 61.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.262 -0.426 . . . . 20.789999999999999 110.745 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 19.2 tttt -50.99 -42.17 60.05 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.271 -0.422 . . . . 26.300000000000001 110.559 179.79 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 76' ' ' ASP . . . . . 0.403 ' N ' ' OD1' ' B' ' 76' ' ' ASP . 0.7 OUTLIER -78.04 -30.37 49.84 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.98 -0.554 . . . . 29.739999999999998 110.548 179.554 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.612 HD11 ' CD1' ' C' ' 78' ' ' TYR . 43.8 mt -64.02 -46.58 83.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.913 -0.585 . . . . 30.199999999999999 110.47 179.696 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 78' ' ' TYR . . . . . 0.769 ' HB3' ' HB1' ' A' ' 55' ' ' ALA . 5.6 m-85 -79.19 -39.39 33.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.987 -0.551 . . . . 31.550000000000001 110.611 179.756 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 79' ' ' LYS . . . . . 0.533 ' O ' HG22 ' B' ' 82' ' ' THR . 3.8 ttmm -61.38 -29.23 69.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.103 -0.499 . . . . 40.25 110.743 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.24 -71.01 0.36 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.489 . . . . 39.109999999999999 110.87 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 81' ' ' THR . . . . . 0.642 HG21 ' HA ' ' C' ' 82' ' ' THR . 4.3 t -73.67 68.66 1.24 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.269 -0.423 . . . . 39.060000000000002 110.936 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.533 HG22 ' O ' ' B' ' 79' ' ' LYS . 8.9 t . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.221 -0.895 . . . . 45.229999999999997 110.933 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 52' ' ' ARG . . . . . . . . . . . . . 27.7 ptt180 . . . . . 0 N--CA 1.487 1.411 0 CA-C-O 120.8 0.333 . . . . 46.140000000000001 111.21 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 53' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -144.15 79.42 1.61 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 41.549999999999997 110.841 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 43.0 m-20 -66.11 -26.72 67.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 38.740000000000002 110.852 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 55' ' ' ALA . . . . . 0.736 ' HB1' ' HB3' ' D' ' 78' ' ' TYR . . . -59.77 -36.04 75.86 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.909 0.385 . . . . 35.140000000000001 110.907 179.785 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -70.35 -55.37 9.29 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.125 -0.488 . . . . 30.469999999999999 110.497 179.665 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.06 -42.82 99.21 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.861 -0.609 . . . . 37.600000000000001 110.358 179.553 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 58' ' ' LEU . . . . . 0.474 HD23 ' HA ' ' C' ' 58' ' ' LEU . 16.0 mt -57.84 -49.98 74.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.733 -0.667 . . . . 26.510000000000002 110.701 179.717 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -50.23 -36.01 29.14 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.163 -0.471 . . . . 20.550000000000001 110.886 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -71.32 -32.11 68.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 20.18 110.497 179.689 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -72.33 -42.65 65.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.071 -0.513 . . . . 22.289999999999999 110.584 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 62' ' ' GLN . . . . . 0.728 ' HA ' HD12 ' C' ' 65' ' ' LEU . 42.7 mm-40 -62.7 -49.23 75.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.958 -0.565 . . . . 24.77 110.516 179.768 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 63' ' ' SER . . . . . . . . . . . . . 4.1 m -58.84 -35.2 72.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.104 -0.498 . . . . 16.789999999999999 110.486 179.689 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.62 -47.93 83.67 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.082 -0.508 . . . . 25.309999999999999 110.593 179.687 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 65' ' ' LEU . . . . . 0.728 HD12 ' HA ' ' C' ' 62' ' ' GLN . 2.9 mt -57.49 -39.98 77.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.119 -0.491 . . . . 17.609999999999999 110.384 179.597 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 66' ' ' VAL . . . . . 0.453 ' O ' HG23 ' C' ' 70' ' ' VAL . 55.5 t -71.24 -51.67 32.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.013 -0.54 . . . . 14.9 110.857 179.678 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 67' ' ' LYS . . . . . . . . . . . . . 6.8 tttt -57.32 -45.93 83.75 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.101 -0.5 . . . . 11.32 110.492 179.588 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 68' ' ' LYS . . . . . . . . . . . . . 15.0 ttmt -65.41 -39.66 92.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 12.279999999999999 110.116 179.467 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 69' ' ' MET . . . . . . . . . . . . . 5.4 tmm? -63.85 -37.57 87.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.867 -0.606 . . . . 8.2300000000000004 110.325 179.47 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 70' ' ' VAL . . . . . 0.453 HG23 ' O ' ' C' ' 66' ' ' VAL . 76.1 t -72.67 -38.17 57.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.012 -0.54 . . . . 9.0299999999999994 110.751 179.74 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 71' ' ' PHE . . . . . 0.517 ' CE1' ' HD3' ' C' ' 75' ' ' LYS . 10.1 t80 -54.53 -56.91 13.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.485 -0.325 . . . . 11.77 110.438 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -53.74 -45.17 70.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.265 -0.425 . . . . 11.94 110.624 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 73' ' ' THR . . . . . . . . . . . . . 18.9 m -65.63 -67.14 0.46 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 12.23 110.419 179.58 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 74' ' ' LEU . . . . . 0.485 ' HB3' ' CE2' ' C' ' 78' ' ' TYR . 12.5 mt -51.16 -36.57 41.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.276 -0.42 . . . . 13.9 110.796 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 75' ' ' LYS . . . . . 0.517 ' HD3' ' CE1' ' C' ' 71' ' ' PHE . 3.9 ttpp -54.48 -69.19 0.13 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.128 0.49 . . . . 13.529999999999999 110.203 179.249 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 76' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -62.2 -32.28 72.9 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.646 -0.706 . . . . 16.940000000000001 110.936 179.675 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 77' ' ' LEU . . . . . 0.741 ' O ' HD12 ' C' ' 77' ' ' LEU . 0.7 OUTLIER -62.0 -52.56 63.5 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.452 -0.34 . . . . 21.059999999999999 110.376 179.905 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 78' ' ' TYR . . . . . 0.612 ' CD1' HD11 ' B' ' 77' ' ' LEU . 20.7 m-85 -65.59 -19.78 66.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.324 -0.398 . . . . 24.449999999999999 110.691 179.511 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 5.8 ttmm -74.65 -27.49 60.45 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.319 -0.4 . . . . 26.93 110.621 179.564 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.65 -28.38 63.72 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.196 -0.457 . . . . 27.359999999999999 110.929 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.51 -79.82 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.086 -0.506 . . . . 33.630000000000003 110.923 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 82' ' ' THR . . . . . 0.642 ' HA ' HG21 ' B' ' 81' ' ' THR . 52.4 p . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.241 -0.885 . . . . 37.68 110.925 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 52' ' ' ARG . . . . . . . . . . . . . 8.6 mtt180 . . . . . 0 N--CA 1.485 1.307 0 CA-C-O 120.82 0.343 . . . . 46.990000000000002 111.201 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 53' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -148.33 -179.26 6.81 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.255 -0.429 . . . . 39.700000000000003 110.978 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -50.57 -39.18 48.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.427 . . . . 35.649999999999999 110.953 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 55' ' ' ALA . . . . . . . . . . . . . . . -54.97 -29.16 56.25 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.064 -0.517 . . . . 30.699999999999999 111.013 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -73.8 -54.42 8.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.473 . . . . 30.84 110.866 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 57' ' ' ARG . . . . . . . . . . . . . 5.7 mtm-85 -53.18 -43.2 66.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 27.190000000000001 110.907 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 58' ' ' LEU . . . . . 0.906 HD22 HG23 ' B' ' 73' ' ' THR . 81.4 mt -59.47 -59.23 5.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.085 -0.507 . . . . 22.07 110.751 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 59' ' ' ALA . . . . . . . . . . . . . . . -49.27 -30.88 7.9 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.967 -0.56 . . . . 19.300000000000001 110.987 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 60' ' ' ASP . . . . . . . . . . . . . 39.7 t0 -71.86 -62.29 1.47 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.083 -0.508 . . . . 16.850000000000001 110.738 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 61' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -57.24 -37.73 72.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 11.039999999999999 110.555 179.747 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 62' ' ' GLN . . . . . 0.453 ' HB3' ' CD1' ' C' ' 74' ' ' LEU . 0.0 OUTLIER -71.05 -42.01 70.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.004 -0.544 . . . . 11.06 110.764 179.676 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' D' D ' 63' ' ' SER . . . . . . . . . . . . . 80.8 p -68.64 -56.19 9.02 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.204 -0.453 . . . . 16.620000000000001 110.722 179.779 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 64' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -50.06 -30.69 11.35 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.966 0.413 . . . . 15.380000000000001 110.584 179.687 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.9 -44.11 86.25 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.937 -0.574 . . . . 9.7300000000000004 110.552 179.731 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 66' ' ' VAL . . . . . 0.443 HG23 ' O ' ' D' ' 62' ' ' GLN . 13.7 t -61.01 -33.36 55.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.12 -0.491 . . . . 8.75 110.918 179.724 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 67' ' ' LYS . . . . . . . . . . . . . 4.8 ttmt -61.36 -62.88 1.52 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 14.630000000000001 110.66 179.744 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 68' ' ' LYS . . . . . . . . . . . . . 18.0 mttt -55.2 -27.2 44.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 8.0 110.548 179.733 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 69' ' ' MET . . . . . 0.438 ' HE2' ' HB3' ' D' ' 69' ' ' MET . 29.2 ttp -74.93 -52.37 11.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.028 -0.533 . . . . 10.890000000000001 110.554 179.724 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 70' ' ' VAL . . . . . 0.434 HG23 ' O ' ' D' ' 66' ' ' VAL . 58.1 t -73.48 -23.06 19.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 10.93 110.907 179.789 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -66.0 -45.62 80.89 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.967 0.413 . . . . 18.23 110.466 179.557 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -63.62 -41.53 98.27 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.991 -0.55 . . . . 23.989999999999998 110.484 179.67 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 73' ' ' THR . . . . . 0.898 HG23 HD22 ' B' ' 58' ' ' LEU . 68.0 m -60.68 -57.62 11.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.1 -0.5 . . . . 23.140000000000001 110.815 179.8 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 74' ' ' LEU . . . . . 0.61 ' HA ' HD12 ' D' ' 77' ' ' LEU . 30.4 mt -50.74 -42.97 58.05 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.217 -0.447 . . . . 27.170000000000002 110.759 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 75' ' ' LYS . . . . . . . . . . . . . 19.2 tttt -50.93 -42.35 59.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 29.690000000000001 110.567 179.734 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 76' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -77.94 -30.49 50.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.007 -0.542 . . . . 28.84 110.539 179.594 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 77' ' ' LEU . . . . . 0.61 HD12 ' HA ' ' D' ' 74' ' ' LEU . 46.1 mt -63.7 -46.93 83.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.921 -0.581 . . . . 28.559999999999999 110.592 179.612 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 78' ' ' TYR . . . . . 0.736 ' HB3' ' HB1' ' C' ' 55' ' ' ALA . 5.7 m-85 -79.01 -39.05 35.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.938 -0.574 . . . . 34.43 110.729 179.741 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 79' ' ' LYS . . . . . 0.527 ' O ' HG22 ' D' ' 82' ' ' THR . 3.7 ttmm -61.69 -28.98 69.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 42.609999999999999 110.81 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 80' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.3 -70.94 0.36 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.043 -0.526 . . . . 42.640000000000001 110.905 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 81' ' ' THR . . . . . 0.657 HG21 ' HA ' ' A' ' 82' ' ' THR . 4.2 t -73.74 68.64 1.27 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.259 -0.428 . . . . 40.710000000000001 110.928 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 82' ' ' THR . . . . . 0.527 HG22 ' O ' ' D' ' 79' ' ' LYS . 8.9 t . . . . . 0 C--O 1.25 1.108 0 CA-C-O 118.225 -0.893 . . . . 48.460000000000001 110.84 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.808 0.337 . . . . 44.280000000000001 111.199 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 62.4 92.25 0.06 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 36.149999999999999 110.973 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.426 ' O ' ' CB ' ' A' ' 58' ' ' LEU . 17.4 t0 -71.03 -31.44 67.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 38.82 110.882 179.821 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.415 ' O ' ' CB ' ' A' ' 59' ' ' ALA . . . -63.9 -33.87 76.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.369 -0.378 . . . . 30.449999999999999 110.798 179.762 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -66.9 -54.55 21.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 27.84 110.503 179.584 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.435 ' HG3' ' N ' ' A' ' 58' ' ' LEU . 6.2 ptp180 -68.65 -41.9 78.71 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.858 -0.61 . . . . 28.68 110.34 179.516 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.635 ' C ' HD13 ' A' ' 58' ' ' LEU . 2.2 tm? -62.84 -48.75 77.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.823 -0.626 . . . . 28.77 110.441 179.5 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.415 ' CB ' ' O ' ' A' ' 55' ' ' ALA . . . -58.4 -36.78 74.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.022 -0.535 . . . . 25.370000000000001 110.882 179.767 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -53.59 -51.36 63.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.429 . . . . 26.75 110.51 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.45 -39.8 92.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.042 -0.527 . . . . 27.48 110.65 179.752 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.449 ' HB2' ' CD1' ' B' ' 74' ' ' LEU . 77.9 mm-40 -59.16 -60.09 4.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.014 -0.539 . . . . 19.600000000000001 110.689 179.715 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 9.8 p -58.33 -30.03 66.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 16.140000000000001 110.552 179.729 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -59.27 -55.52 33.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.046 -0.525 . . . . 18.600000000000001 110.54 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 8.3 mt -54.3 -40.45 67.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.101 -0.499 . . . . 17.18 110.412 179.567 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 53.6 t -64.62 -50.62 74.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.027 -0.533 . . . . 9.9900000000000002 110.8 179.564 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 24.3 tttt -59.06 -47.32 85.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.024 -0.534 . . . . 17.960000000000001 110.529 179.666 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 22.3 ttpt -58.62 -37.75 76.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.084 -0.507 . . . . 21.670000000000002 110.637 179.727 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.401 ' HE2' HG21 ' C' ' 73' ' ' THR . 29.6 ttp -64.43 -38.58 91.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.09 -0.505 . . . . 8.4600000000000009 110.505 179.656 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.416 HG13 ' HG ' ' A' ' 74' ' ' LEU . 73.7 t -74.37 -40.89 50.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.945 -0.571 . . . . 5.9900000000000002 110.966 179.784 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.508 ' CZ ' ' HD3' ' A' ' 75' ' ' LYS . 15.6 t80 -51.78 -64.24 0.88 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.462 -0.336 . . . . 16.489999999999998 110.622 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -51.1 -40.78 59.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.901 0.382 . . . . 10.49 110.611 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.413 HG21 ' HE2' ' C' ' 69' ' ' MET . 21.5 m -65.58 -71.11 0.2 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.071 -0.513 . . . . 12.550000000000001 110.314 179.617 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.46 ' CD1' ' HB3' ' B' ' 62' ' ' GLN . 18.2 mt -51.79 -34.61 40.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.091 -0.504 . . . . 19.16 111.06 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.508 ' HD3' ' CZ ' ' A' ' 71' ' ' PHE . 6.1 tttp -55.55 -64.28 0.9 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.112 0.482 . . . . 22.379999999999999 110.102 179.513 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -66.66 -35.77 80.94 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.677 -0.692 . . . . 16.75 110.776 179.684 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.567 ' O ' HD12 ' A' ' 77' ' ' LEU . 1.2 tp -61.23 -59.07 5.88 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.228 -0.442 . . . . 20.079999999999998 110.715 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.483 ' OH ' HG13 ' D' ' 70' ' ' VAL . 21.9 m-30 -59.91 -28.89 67.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.292 -0.413 . . . . 26.73 110.668 179.727 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 25.6 mttt -68.08 -28.46 67.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 28.079999999999998 110.623 179.758 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 4.9 tttt -65.27 -46.79 79.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.486 . . . . 31.57 110.914 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.719 ' OG1' HD22 ' D' ' 77' ' ' LEU . 78.1 p -50.83 -78.44 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.012 -0.54 . . . . 35.0 110.994 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.401 HG23 ' O ' ' A' ' 82' ' ' THR . 1.7 t . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.198 -0.906 . . . . 40.890000000000001 110.829 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 27.9 mmt180 . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.74 0.305 . . . . 40.950000000000003 111.225 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -113.06 24.04 12.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.258 -0.428 . . . . 39.600000000000001 110.932 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -67.16 -24.89 65.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 32.799999999999997 110.824 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.28 -45.17 80.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 32.159999999999997 111.133 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -61.33 -47.44 85.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 29.710000000000001 110.88 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 10.1 mmm180 -59.34 -40.5 86.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 22.629999999999999 110.83 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 58' ' ' LEU . . . . . 0.805 HD13 ' CG2' ' D' ' 73' ' ' THR . 91.9 mt -61.43 -57.33 12.64 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.994 -0.548 . . . . 17.870000000000001 110.945 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -47.69 -31.5 4.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.018 -0.537 . . . . 18.73 111.1 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -76.35 -53.74 7.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.07 -0.513 . . . . 23.010000000000002 110.761 179.756 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -60.56 -34.16 73.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 16.52 110.719 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 62' ' ' GLN . . . . . 0.653 ' O ' HG23 ' B' ' 66' ' ' VAL . 0.1 OUTLIER -77.07 -45.69 26.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 15.130000000000001 110.943 179.864 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 72.1 p -62.35 -52.52 63.29 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.319 -0.4 . . . . 12.84 110.623 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -54.15 -37.71 64.72 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.143 -0.48 . . . . 7.9299999999999997 110.594 179.677 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.48 -41.59 97.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.048 -0.524 . . . . 5.5899999999999999 110.69 179.774 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 66' ' ' VAL . . . . . 0.653 HG23 ' O ' ' B' ' 62' ' ' GLN . 3.5 t -62.23 -38.26 80.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.278 -0.419 . . . . 6.46 111.095 179.79 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 1.9 ttpm? -57.19 -60.24 3.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.091 -0.504 . . . . 15.23 110.846 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 2.3 mtmp? -53.16 -34.44 56.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 16.260000000000002 110.824 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 69' ' ' MET . . . . . . . . . . . . . 24.6 ttp -67.16 -49.28 65.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 12.869999999999999 110.78 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.417 HG13 ' OH ' ' C' ' 78' ' ' TYR . 86.7 t -74.09 -27.72 22.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.047 -0.524 . . . . 15.25 111.029 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 37.1 t80 -63.12 -42.41 99.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.297 -0.41 . . . . 24.859999999999999 110.655 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -64.42 -51.76 61.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.091 -0.504 . . . . 27.280000000000001 110.749 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 73' ' ' THR . . . . . 0.83 ' CG2' HD13 ' D' ' 58' ' ' LEU . 55.3 m -55.66 -49.51 72.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 21.579999999999998 110.906 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 74' ' ' LEU . . . . . 0.704 HD23 HD12 ' B' ' 77' ' ' LEU . 19.2 mt -56.15 -43.9 78.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 20.690000000000001 110.959 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 3.0 ttpt -49.83 -44.71 49.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.343 -0.39 . . . . 26.870000000000001 110.793 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -74.13 -36.56 64.19 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.015 -0.539 . . . . 30.289999999999999 110.512 179.69 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.808 HD22 ' OG1' ' C' ' 81' ' ' THR . 11.3 mt -55.15 -47.62 74.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.008 -0.542 . . . . 30.32 110.748 179.743 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 78' ' ' TYR . . . . . 0.518 ' CE1' HD12 ' A' ' 58' ' ' LEU . 2.5 m-85 -74.57 -45.98 41.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.02 -0.536 . . . . 31.829999999999998 111.027 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 4.0 mtmt -51.44 -31.11 21.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.293 -0.412 . . . . 40.259999999999998 110.772 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 8.1 mmtt -73.0 -40.26 65.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.463 . . . . 41.770000000000003 110.576 179.738 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 1.2 p -85.22 51.5 2.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.044 -0.526 . . . . 39.530000000000001 111.028 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 15.2 t . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.195 -0.907 . . . . 46.759999999999998 110.966 179.984 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 120.759 0.314 . . . . 42.469999999999999 111.214 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 53' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 62.37 92.34 0.06 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.181 -0.463 . . . . 39.630000000000003 110.933 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 54' ' ' ASP . . . . . 0.431 ' O ' ' CB ' ' C' ' 58' ' ' LEU . 17.8 t0 -71.14 -31.49 67.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.261 -0.427 . . . . 38.140000000000001 110.765 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 55' ' ' ALA . . . . . 0.411 ' O ' ' CB ' ' C' ' 59' ' ' ALA . . . -63.81 -33.88 76.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.886 0.374 . . . . 33.899999999999999 110.809 179.802 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -66.96 -54.49 21.44 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.11 -0.496 . . . . 29.449999999999999 110.452 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 57' ' ' ARG . . . . . 0.446 ' HG3' ' N ' ' C' ' 58' ' ' LEU . 6.3 ptp180 -68.71 -41.8 78.6 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.939 -0.573 . . . . 37.990000000000002 110.359 179.534 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 58' ' ' LEU . . . . . 0.633 ' C ' HD13 ' C' ' 58' ' ' LEU . 2.2 tm? -62.89 -48.66 78.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.699 -0.682 . . . . 26.030000000000001 110.473 179.491 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 59' ' ' ALA . . . . . 0.411 ' CB ' ' O ' ' C' ' 55' ' ' ALA . . . -58.36 -37.0 74.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.021 -0.536 . . . . 20.59 110.883 179.752 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -53.57 -51.2 63.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.074 -0.512 . . . . 19.52 110.567 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.54 -39.7 92.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.125 -0.489 . . . . 21.57 110.635 179.764 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 62' ' ' GLN . . . . . 0.439 ' HB2' ' CD1' ' D' ' 74' ' ' LEU . 78.8 mm-40 -59.24 -60.01 4.55 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.039 -0.528 . . . . 24.100000000000001 110.727 179.761 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 63' ' ' SER . . . . . . . . . . . . . 10.5 p -58.41 -30.14 66.63 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.125 -0.489 . . . . 17.370000000000001 110.496 179.731 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -59.03 -55.65 32.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.061 -0.518 . . . . 25.68 110.568 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 65' ' ' LEU . . . . . . . . . . . . . 8.3 mt -54.32 -40.27 67.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.146 -0.479 . . . . 18.25 110.441 179.608 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 66' ' ' VAL . . . . . . . . . . . . . 54.1 t -64.87 -50.48 74.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.095 -0.502 . . . . 14.93 110.724 179.56 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 67' ' ' LYS . . . . . . . . . . . . . 24.3 tttt -59.14 -47.36 85.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.068 -0.514 . . . . 9.3399999999999999 110.507 179.677 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 68' ' ' LYS . . . . . . . . . . . . . 22.4 ttpt -58.53 -38.04 76.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 13.449999999999999 110.575 179.78 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 69' ' ' MET . . . . . 0.413 ' HE2' HG21 ' A' ' 73' ' ' THR . 29.7 ttp -64.14 -38.46 91.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 7.9199999999999999 110.57 179.647 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 70' ' ' VAL . . . . . 0.418 HG13 ' HG ' ' C' ' 74' ' ' LEU . 72.7 t -74.64 -40.86 48.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.994 -0.548 . . . . 9.4199999999999999 110.96 179.799 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 71' ' ' PHE . . . . . 0.504 ' CZ ' ' HD3' ' C' ' 75' ' ' LYS . 15.6 t80 -51.69 -64.44 0.81 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.403 -0.362 . . . . 13.24 110.695 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -50.92 -40.81 58.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.866 0.365 . . . . 13.07 110.576 179.754 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 73' ' ' THR . . . . . 0.401 HG21 ' HE2' ' A' ' 69' ' ' MET . 21.7 m -65.6 -71.09 0.2 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 11.48 110.347 179.644 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 74' ' ' LEU . . . . . 0.458 ' CD1' ' HB3' ' D' ' 62' ' ' GLN . 18.0 mt -51.77 -34.65 40.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 13.35 111.048 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 75' ' ' LYS . . . . . 0.504 ' HD3' ' CZ ' ' C' ' 71' ' ' PHE . 6.1 tttp -55.6 -63.93 1.01 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.222 -0.444 . . . . 14.0 110.191 179.532 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 76' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -67.07 -35.32 79.58 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.643 -0.708 . . . . 17.629999999999999 110.859 179.667 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 77' ' ' LEU . . . . . 0.56 ' O ' HD12 ' C' ' 77' ' ' LEU . 1.3 tp -61.51 -58.88 6.38 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.26 -0.427 . . . . 21.34 110.736 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 78' ' ' TYR . . . . . 0.417 ' OH ' HG13 ' B' ' 70' ' ' VAL . 21.9 m-30 -60.16 -29.01 68.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 25.350000000000001 110.621 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 25.8 mttt -67.9 -28.4 67.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 25.960000000000001 110.679 179.634 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 4.8 tttt -65.34 -46.64 79.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.074 -0.512 . . . . 27.989999999999998 110.936 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 81' ' ' THR . . . . . 0.808 ' OG1' HD22 ' B' ' 77' ' ' LEU . 74.8 p -51.05 -78.51 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.057 -0.519 . . . . 33.049999999999997 110.953 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 82' ' ' THR . . . . . 0.406 ' O ' HG23 ' C' ' 82' ' ' THR . 1.7 t . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.244 -0.884 . . . . 37.390000000000001 110.862 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 52' ' ' ARG . . . . . . . . . . . . . 27.9 mmt180 . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.774 0.321 . . . . 43.189999999999998 111.196 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 53' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -113.27 23.97 12.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.443 . . . . 38.479999999999997 110.988 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -67.11 -24.77 65.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 33.32 110.837 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.37 -45.26 80.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 30.059999999999999 111.144 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -61.19 -47.69 84.97 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.243 -0.435 . . . . 31.239999999999998 110.836 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 57' ' ' ARG . . . . . . . . . . . . . 10.1 mmm180 -59.1 -40.55 85.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 25.789999999999999 110.815 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 58' ' ' LEU . . . . . 0.83 HD13 ' CG2' ' B' ' 73' ' ' THR . 91.6 mt -61.5 -57.2 13.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.062 -0.517 . . . . 22.370000000000001 110.923 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 59' ' ' ALA . . . . . . . . . . . . . . . -47.76 -31.46 4.86 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.968 -0.56 . . . . 19.960000000000001 111.091 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 60' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -76.41 -53.61 7.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.997 -0.547 . . . . 17.27 110.723 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 61' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -60.49 -34.31 73.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.098 -0.501 . . . . 11.57 110.767 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 62' ' ' GLN . . . . . 0.654 ' O ' HG23 ' D' ' 66' ' ' VAL . 0.1 OUTLIER -76.99 -45.63 26.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 10.91 110.927 179.867 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' D' D ' 63' ' ' SER . . . . . . . . . . . . . 72.4 p -62.52 -52.52 63.13 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.361 -0.382 . . . . 16.670000000000002 110.666 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 64' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -54.2 -37.78 64.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 15.23 110.62 179.696 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 65' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.43 -41.69 97.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.006 -0.543 . . . . 9.9100000000000001 110.679 179.753 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 66' ' ' VAL . . . . . 0.654 HG23 ' O ' ' D' ' 62' ' ' GLN . 3.4 t -62.17 -38.31 80.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.253 -0.43 . . . . 8.0399999999999991 111.066 179.82 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 67' ' ' LYS . . . . . . . . . . . . . 1.9 ttpm? -57.16 -59.91 4.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.086 -0.506 . . . . 13.51 110.866 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 68' ' ' LYS . . . . . . . . . . . . . 2.3 mtmp? -53.44 -34.48 58.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 8.4100000000000001 110.808 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 69' ' ' MET . . . . . . . . . . . . . 24.9 ttp -67.06 -49.41 65.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 11.02 110.722 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 70' ' ' VAL . . . . . 0.483 HG13 ' OH ' ' A' ' 78' ' ' TYR . 92.1 t -73.83 -27.9 23.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.006 -0.543 . . . . 10.91 111.107 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 36.9 t80 -63.05 -42.36 99.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.279 -0.419 . . . . 18.27 110.722 179.759 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -64.53 -51.54 62.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 23.84 110.784 179.771 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 73' ' ' THR . . . . . 0.805 ' CG2' HD13 ' B' ' 58' ' ' LEU . 53.6 m -55.77 -49.62 72.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 24.02 110.887 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 74' ' ' LEU . . . . . 0.725 HD23 HD12 ' D' ' 77' ' ' LEU . 19.4 mt -56.06 -43.9 78.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 27.43 110.94 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 75' ' ' LYS . . . . . . . . . . . . . 3.0 ttpt -49.79 -44.89 49.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.286 -0.415 . . . . 28.82 110.777 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 76' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -73.92 -36.66 64.72 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.013 -0.54 . . . . 28.920000000000002 110.479 179.71 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 77' ' ' LEU . . . . . 0.725 HD12 HD23 ' D' ' 74' ' ' LEU . 11.5 mt -54.97 -47.89 73.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.055 -0.521 . . . . 29.079999999999998 110.809 179.712 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 78' ' ' TYR . . . . . 0.513 ' CE1' HD12 ' C' ' 58' ' ' LEU . 2.6 m-85 -74.29 -46.24 42.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.965 -0.562 . . . . 34.590000000000003 111.005 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 79' ' ' LYS . . . . . . . . . . . . . 4.0 mtmt -51.18 -31.1 18.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.306 -0.406 . . . . 43.799999999999997 110.855 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 80' ' ' LYS . . . . . . . . . . . . . 8.2 mmtt -72.98 -40.23 65.44 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.204 -0.453 . . . . 42.469999999999999 110.576 179.738 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 81' ' ' THR . . . . . . . . . . . . . 1.3 p -85.44 51.65 2.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.061 -0.518 . . . . 41.359999999999999 111.056 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 82' ' ' THR . . . . . . . . . . . . . 15.2 t . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.286 -0.864 . . . . 50.329999999999998 110.938 -179.967 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 11.0 mtt180 . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.836 0.351 . . . . 45.159999999999997 111.124 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 16.9 t30 -178.27 88.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 40.859999999999999 110.866 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -50.45 -30.79 13.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 41.270000000000003 110.82 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.538 ' HB1' ' CB ' ' B' ' 78' ' ' TYR . . . -60.62 -41.32 94.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.412 -0.358 . . . . 35.469999999999999 110.625 179.783 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -67.62 -52.76 34.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 30.52 110.283 179.56 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 3.6 ttp180 -59.46 -45.95 90.16 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.819 -0.628 . . . . 39.07 110.28 179.507 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.449 HD23 ' HA ' ' A' ' 58' ' ' LEU . 18.5 mt -55.43 -45.01 76.79 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.811 -0.631 . . . . 29.190000000000001 110.494 179.615 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.638 ' HA ' HD13 ' B' ' 74' ' ' LEU . . . -52.2 -39.7 60.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.049 -0.523 . . . . 20.98 110.813 179.776 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -68.65 -36.31 78.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 18.440000000000001 110.668 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.45 -52.19 54.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.122 -0.49 . . . . 20.559999999999999 110.789 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.778 ' HA ' HD12 ' A' ' 65' ' ' LEU . 26.6 mm-40 -57.87 -47.06 83.84 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.075 -0.511 . . . . 23.559999999999999 110.373 179.688 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 7.3 p -56.64 -35.79 68.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.019 -0.537 . . . . 18.449999999999999 110.664 179.689 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -63.42 -37.75 88.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.085 -0.507 . . . . 26.829999999999998 110.798 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.778 HD12 ' HA ' ' A' ' 62' ' ' GLN . 7.0 mt -67.31 -35.35 79.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.491 . . . . 19.370000000000001 110.581 179.786 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.511 ' O ' HG23 ' A' ' 70' ' ' VAL . 60.5 t -80.65 -33.46 13.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.125 -0.489 . . . . 15.06 111.053 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.3 tttt -76.49 -30.55 57.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 8.7200000000000006 110.523 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.427 ' HG3' ' N ' ' A' ' 69' ' ' MET . 0.4 OUTLIER -75.82 -39.75 56.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.063 -0.517 . . . . 13.949999999999999 110.437 179.569 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.427 ' N ' ' HG3' ' A' ' 68' ' ' LYS . 13.9 ptt? -66.56 -32.2 73.39 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.092 -0.504 . . . . 8.8900000000000006 110.732 179.769 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 66' ' ' VAL . 53.5 t -73.65 -44.13 53.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.078 -0.51 . . . . 9.2100000000000009 110.756 179.649 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.427 ' O ' ' CB ' ' A' ' 75' ' ' LYS . 10.7 t80 -50.72 -58.0 6.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.428 -0.351 . . . . 16.120000000000001 110.61 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -51.84 -44.27 63.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.369 -0.378 . . . . 14.359999999999999 110.467 179.648 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.418 HG21 ' HE1' ' C' ' 69' ' ' MET . 18.8 m -64.88 -70.44 0.23 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.032 -0.531 . . . . 10.0 110.441 179.557 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.472 ' CD1' ' HB3' ' B' ' 62' ' ' GLN . 14.4 mt -50.05 -36.7 30.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.463 . . . . 12.84 111.053 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.427 ' CB ' ' O ' ' A' ' 71' ' ' PHE . 3.5 tttp -54.63 -69.15 0.14 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.095 -0.502 . . . . 15.06 110.28 179.528 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.33 -30.69 71.35 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.715 -0.675 . . . . 18.219999999999999 110.831 179.611 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.596 ' C ' HD12 ' A' ' 77' ' ' LEU . 0.9 OUTLIER -64.68 -65.66 0.65 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.383 -0.371 . . . . 21.309999999999999 110.747 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.677 ' OH ' HG13 ' D' ' 70' ' ' VAL . 18.6 m-85 -54.73 -22.63 14.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.439 -0.346 . . . . 26.75 110.891 179.808 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 3.9 tppt? -70.57 -34.64 72.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.365 -0.379 . . . . 25.68 110.84 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 13.1 tttt -72.04 -32.45 67.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 29.16 110.89 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.439 ' OG1' HD13 ' D' ' 77' ' ' LEU . 0.0 OUTLIER -55.06 -78.22 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.485 . . . . 33.799999999999997 110.894 179.918 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 10.8 t . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.226 -0.892 . . . . 39.479999999999997 110.912 179.904 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.838 0.351 . . . . 43.740000000000002 111.074 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -101.9 30.98 4.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 37.420000000000002 110.906 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -73.18 -27.83 61.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 32.539999999999999 110.989 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -53.43 -31.65 46.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.314 -0.403 . . . . 29.370000000000001 111.189 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -80.82 -41.23 23.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.448 . . . . 33.700000000000003 110.984 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 26.3 mtt180 -62.59 -31.59 72.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.446 . . . . 25.190000000000001 111.077 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 58' ' ' LEU . . . . . 0.962 HD13 ' CG2' ' D' ' 73' ' ' THR . 60.1 mt -74.11 -50.1 20.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 22.07 111.059 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.88 -40.33 60.46 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.163 -0.472 . . . . 20.460000000000001 111.108 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.34 -55.59 7.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.092 -0.504 . . . . 21.82 111.025 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -56.73 -42.17 78.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 12.58 110.936 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 62' ' ' GLN . . . . . 0.474 ' O ' HG23 ' B' ' 66' ' ' VAL . 0.0 OUTLIER -67.84 -39.91 83.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.19 -0.459 . . . . 10.6 111.222 -179.81 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 2.8 p -65.76 -57.18 8.59 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.487 -0.324 . . . . 16.379999999999999 110.909 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 64' ' ' GLU . . . . . 0.422 ' HG3' ' N ' ' B' ' 65' ' ' LEU . 8.1 pt-20 -48.47 -32.97 8.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.315 -0.402 . . . . 17.309999999999999 110.935 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 65' ' ' LEU . . . . . 0.422 ' N ' ' HG3' ' B' ' 64' ' ' GLU . 0.0 OUTLIER -65.96 -44.99 83.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.04 -0.527 . . . . 10.470000000000001 110.624 179.841 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 66' ' ' VAL . . . . . 0.474 HG23 ' O ' ' B' ' 62' ' ' GLN . 19.8 t -57.73 -37.49 59.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.31 -0.404 . . . . 8.0999999999999996 110.766 179.765 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 75.1 tttt -60.12 -55.5 33.09 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.004 -0.544 . . . . 11.279999999999999 110.698 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 23.9 mttt -56.44 -32.53 64.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 9.6500000000000004 110.721 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 69' ' ' MET . . . . . . . . . . . . . 41.1 ttp -71.22 -50.92 27.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 11.23 110.784 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.777 HG13 ' OH ' ' C' ' 78' ' ' TYR . 60.8 t -75.08 -22.3 16.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 10.960000000000001 111.15 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -63.29 -46.38 87.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.871 0.367 . . . . 17.879999999999999 110.54 179.789 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.47 -46.11 77.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.116 -0.493 . . . . 24.379999999999999 110.586 179.762 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 73' ' ' THR . . . . . 0.938 ' CG2' HD13 ' D' ' 58' ' ' LEU . 87.1 m -52.07 -53.13 45.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.093 -0.503 . . . . 24.73 110.856 179.804 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 74' ' ' LEU . . . . . 0.638 HD13 ' HA ' ' A' ' 59' ' ' ALA . 46.5 mt -54.3 -42.68 70.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 27.140000000000001 111.088 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.96 -46.95 52.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.32 -0.4 . . . . 27.780000000000001 110.844 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 76' ' ' ASP . . . . . 0.441 ' HA ' ' CG ' ' B' ' 79' ' ' LYS . 63.3 m-20 -72.31 -30.52 64.86 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.946 -0.57 . . . . 28.23 110.677 179.626 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.773 ' O ' HG22 ' B' ' 81' ' ' THR . 20.1 mt -65.56 -37.38 86.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.929 -0.578 . . . . 28.690000000000001 110.966 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 78' ' ' TYR . . . . . 0.538 ' CB ' ' HB1' ' A' ' 55' ' ' ALA . 15.4 m-85 -84.97 -61.34 1.8 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.446 . . . . 33.950000000000003 111.164 -179.688 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 79' ' ' LYS . . . . . 0.441 ' CG ' ' HA ' ' B' ' 76' ' ' ASP . 0.0 OUTLIER -45.8 -37.91 6.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.207 -0.451 . . . . 43.509999999999998 111.285 -179.834 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.4 -58.62 4.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.306 -0.406 . . . . 41.979999999999997 110.829 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 81' ' ' THR . . . . . 0.773 HG22 ' O ' ' B' ' 77' ' ' LEU . 8.8 t -79.54 58.31 2.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 40.659999999999997 110.844 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 14.7 t . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.222 -0.894 . . . . 49.200000000000003 110.881 -179.907 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 52' ' ' ARG . . . . . . . . . . . . . 10.9 mtt180 . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.829 0.347 . . . . 46.969999999999999 111.251 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 53' ' ' ASN . . . . . . . . . . . . . 16.9 t30 -178.37 88.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 35.979999999999997 110.904 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -50.4 -30.99 13.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 38.0 110.833 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 55' ' ' ALA . . . . . 0.546 ' HB1' ' CB ' ' D' ' 78' ' ' TYR . . . -60.39 -41.3 93.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.892 0.377 . . . . 30.66 110.71 179.693 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -67.72 -52.6 35.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 27.050000000000001 110.435 179.476 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 57' ' ' ARG . . . . . . . . . . . . . 3.6 ttp180 -59.56 -46.19 89.63 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.86 -0.609 . . . . 26.359999999999999 110.242 179.474 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 58' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' C' ' 58' ' ' LEU . 18.7 mt -54.98 -45.25 74.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.718 -0.674 . . . . 27.489999999999998 110.552 179.595 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 59' ' ' ALA . . . . . 0.669 ' HA ' HD13 ' D' ' 74' ' ' LEU . . . -52.08 -39.67 60.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.988 -0.551 . . . . 24.329999999999998 110.851 179.74 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -68.66 -36.35 78.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 26.420000000000002 110.658 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.33 -52.25 55.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.069 -0.514 . . . . 27.199999999999999 110.817 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 62' ' ' GLN . . . . . 0.767 ' HA ' HD12 ' C' ' 65' ' ' LEU . 26.6 mm-40 -57.83 -47.07 83.7 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.025 -0.534 . . . . 20.02 110.483 179.7 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 63' ' ' SER . . . . . . . . . . . . . 8.4 p -56.6 -35.87 68.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.937 -0.574 . . . . 16.010000000000002 110.616 179.656 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -63.48 -37.68 88.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.484 . . . . 18.859999999999999 110.699 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 65' ' ' LEU . . . . . 0.767 HD12 ' HA ' ' C' ' 62' ' ' GLN . 6.9 mt -67.26 -35.47 79.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 15.99 110.552 179.806 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 66' ' ' VAL . . . . . 0.509 ' O ' HG23 ' C' ' 70' ' ' VAL . 61.0 t -80.5 -33.46 13.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.066 -0.516 . . . . 9.9800000000000004 111.047 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 67' ' ' LYS . . . . . 0.422 ' HG2' ' HB2' ' D' ' 63' ' ' SER . 4.3 tttt -76.31 -30.95 57.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 19.050000000000001 110.531 179.724 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 68' ' ' LYS . . . . . 0.422 ' HG3' ' N ' ' C' ' 69' ' ' MET . 0.4 OUTLIER -75.46 -39.92 58.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 19.23 110.38 179.585 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' C' C ' 69' ' ' MET . . . . . 0.422 ' N ' ' HG3' ' C' ' 68' ' ' LYS . 14.2 ptt? -66.5 -32.03 73.13 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.466 . . . . 8.3800000000000008 110.733 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 70' ' ' VAL . . . . . 0.509 HG23 ' O ' ' C' ' 66' ' ' VAL . 51.7 t -73.83 -43.79 52.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 4.75 110.743 179.741 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 71' ' ' PHE . . . . . 0.438 ' O ' ' CB ' ' C' ' 75' ' ' LYS . 10.8 t80 -51.06 -57.86 7.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.408 -0.36 . . . . 13.880000000000001 110.702 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -51.9 -44.37 63.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.869 0.366 . . . . 7.6200000000000001 110.417 179.654 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 73' ' ' THR . . . . . . . . . . . . . 19.1 m -64.84 -70.58 0.22 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.018 -0.537 . . . . 13.33 110.342 179.61 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 74' ' ' LEU . . . . . 0.464 ' CD1' ' HB3' ' D' ' 62' ' ' GLN . 14.4 mt -49.8 -36.87 27.82 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.24 -0.436 . . . . 19.030000000000001 111.052 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 75' ' ' LYS . . . . . 0.438 ' CB ' ' O ' ' C' ' 71' ' ' PHE . 3.5 tttp -54.48 -69.2 0.13 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.045 -0.525 . . . . 22.379999999999999 110.301 179.514 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 76' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.4 -30.61 71.33 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.757 -0.656 . . . . 15.44 110.887 179.677 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 77' ' ' LEU . . . . . 0.605 ' C ' HD12 ' C' ' 77' ' ' LEU . 0.8 OUTLIER -64.71 -65.44 0.67 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.317 -0.401 . . . . 19.579999999999998 110.699 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' C' C ' 78' ' ' TYR . . . . . 0.777 ' OH ' HG13 ' B' ' 70' ' ' VAL . 18.6 m-85 -54.81 -23.0 16.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 25.899999999999999 110.926 179.761 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 3.9 tppt? -70.29 -34.73 73.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.29 -0.414 . . . . 28.120000000000001 110.898 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 13.1 tttt -71.97 -32.58 67.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 30.120000000000001 110.931 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -55.06 -78.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 34.130000000000003 110.886 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 82' ' ' THR . . . . . . . . . . . . . 10.6 t . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.181 -0.914 . . . . 40.710000000000001 110.873 -179.978 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.842 0.353 . . . . 41.619999999999997 111.109 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -101.8 30.64 4.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 40.049999999999997 110.985 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -72.92 -28.0 62.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 33.450000000000003 110.971 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 55' ' ' ALA . . . . . . . . . . . . . . . -53.37 -31.59 45.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 33.340000000000003 111.173 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -80.79 -41.36 23.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.431 . . . . 30.510000000000002 110.992 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 57' ' ' ARG . . . . . . . . . . . . . 25.6 mtt180 -62.45 -31.62 72.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.23 -0.441 . . . . 26.02 111.199 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 58' ' ' LEU . . . . . 0.938 HD13 ' CG2' ' B' ' 73' ' ' THR . 60.2 mt -74.05 -50.23 20.62 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.319 -0.401 . . . . 18.199999999999999 110.992 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.73 -40.32 60.02 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.138 -0.483 . . . . 18.370000000000001 111.021 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.5 -55.67 7.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.481 . . . . 23.469999999999999 110.895 -179.838 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 61' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -56.57 -42.31 78.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.094 -0.503 . . . . 16.219999999999999 110.971 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 62' ' ' GLN . . . . . 0.467 ' O ' HG23 ' D' ' 66' ' ' VAL . 0.0 OUTLIER -67.68 -40.03 84.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 15.109999999999999 111.264 -179.862 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' D' D ' 63' ' ' SER . . . . . 0.422 ' HB2' ' HG2' ' C' ' 67' ' ' LYS . 2.9 p -65.55 -57.14 8.91 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.769 0.318 . . . . 12.98 110.982 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 64' ' ' GLU . . . . . 0.411 ' HG3' ' N ' ' D' ' 65' ' ' LEU . 8.1 pt-20 -48.64 -33.09 9.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.34 -0.391 . . . . 9.9800000000000004 110.832 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 65' ' ' LEU . . . . . 0.411 ' N ' ' HG3' ' D' ' 64' ' ' GLU . 0.0 OUTLIER -65.69 -45.3 83.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.034 -0.53 . . . . 5.5800000000000001 110.651 179.765 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' D' D ' 66' ' ' VAL . . . . . 0.467 HG23 ' O ' ' D' ' 62' ' ' GLN . 20.8 t -57.64 -36.95 56.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.294 -0.412 . . . . 7.0199999999999996 110.853 179.781 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 67' ' ' LYS . . . . . . . . . . . . . 74.5 tttt -60.66 -55.4 33.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.004 -0.544 . . . . 18.98 110.786 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 68' ' ' LYS . . . . . . . . . . . . . 23.8 mttt -56.37 -32.66 64.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 15.51 110.729 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 69' ' ' MET . . . . . . . . . . . . . 40.1 ttp -71.1 -51.14 26.81 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.094 -0.503 . . . . 12.869999999999999 110.803 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 70' ' ' VAL . . . . . 0.677 HG13 ' OH ' ' A' ' 78' ' ' TYR . 59.4 t -74.88 -22.24 17.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 15.449999999999999 111.132 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -63.33 -46.11 88.18 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.296 -0.411 . . . . 24.870000000000001 110.705 179.757 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -66.78 -45.86 77.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.072 -0.513 . . . . 28.329999999999998 110.582 179.722 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 73' ' ' THR . . . . . 0.962 ' CG2' HD13 ' B' ' 58' ' ' LEU . 85.9 m -52.2 -52.95 49.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 20.809999999999999 110.869 179.823 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 74' ' ' LEU . . . . . 0.669 HD13 ' HA ' ' C' ' 59' ' ' ALA . 47.8 mt -54.43 -42.95 71.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.484 . . . . 21.559999999999999 111.119 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.57 -46.84 49.43 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.323 -0.399 . . . . 28.300000000000001 110.842 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 76' ' ' ASP . . . . . 0.438 ' HA ' ' CG ' ' D' ' 79' ' ' LYS . 63.4 m-20 -72.47 -30.31 64.44 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.006 -0.543 . . . . 30.969999999999999 110.682 179.642 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 77' ' ' LEU . . . . . 0.77 ' O ' HG22 ' D' ' 81' ' ' THR . 20.0 mt -65.91 -37.31 85.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.94 -0.573 . . . . 30.41 110.931 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 78' ' ' TYR . . . . . 0.546 ' CB ' ' HB1' ' C' ' 55' ' ' ALA . 15.2 m-85 -84.96 -61.18 1.84 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 33.049999999999997 111.176 -179.782 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 79' ' ' LYS . . . . . 0.438 ' CG ' ' HA ' ' D' ' 76' ' ' ASP . 0.0 OUTLIER -45.87 -37.88 6.76 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.183 -0.462 . . . . 39.450000000000003 111.351 -179.816 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' D' D ' 80' ' ' LYS . . . . . 0.405 ' HB2' ' O ' ' D' ' 76' ' ' ASP . 0.1 OUTLIER -66.57 -58.48 5.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.286 -0.416 . . . . 43.789999999999999 110.867 179.933 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' D' D ' 81' ' ' THR . . . . . 0.77 HG22 ' O ' ' D' ' 77' ' ' LEU . 8.8 t -79.49 58.04 2.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.431 . . . . 40.369999999999997 110.894 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 82' ' ' THR . . . . . . . . . . . . . 14.6 t . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.321 -0.847 . . . . 47.82 110.856 -179.957 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 24.2 ttm180 . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.818 0.342 . . . . 43.43 111.137 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 60.38 104.95 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 40.159999999999997 110.984 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -78.9 -31.94 45.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 38.219999999999999 110.673 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.58 -35.42 77.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.212 -0.449 . . . . 34.479999999999997 110.843 179.753 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -73.02 -52.47 14.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.065 -0.516 . . . . 29.699999999999999 110.405 179.642 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.409 ' HB3' ' NH1' ' A' ' 57' ' ' ARG . 8.3 mtm105 -63.39 -39.14 93.71 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.936 -0.574 . . . . 37.020000000000003 110.373 179.525 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.406 ' HA ' HD23 ' A' ' 58' ' ' LEU . 11.9 mt -59.93 -51.37 69.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.906 -0.588 . . . . 27.059999999999999 110.638 179.528 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -50.18 -36.02 28.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.1 -0.5 . . . . 20.039999999999999 110.885 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -67.99 -29.85 68.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.081 -0.509 . . . . 18.989999999999998 110.624 179.694 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -74.88 -50.73 15.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.058 -0.519 . . . . 21.260000000000002 110.771 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.571 ' HB2' HD13 ' B' ' 74' ' ' LEU . 64.7 mm-40 -53.89 -53.99 44.92 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.93 -0.577 . . . . 24.210000000000001 110.755 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.2 m -58.42 -39.0 78.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 16.699999999999999 110.622 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.402 ' O ' ' HG2' ' A' ' 67' ' ' LYS . 0.7 OUTLIER -56.53 -26.82 55.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 26.350000000000001 110.523 179.791 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.9 mt -79.83 -32.31 40.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 18.079999999999998 110.462 179.712 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.4 ' O ' HG23 ' A' ' 70' ' ' VAL . 21.4 t -78.84 -38.03 20.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.857 -0.61 . . . . 14.92 110.947 179.833 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.421 ' HG3' ' N ' ' A' ' 68' ' ' LYS . 2.1 ptmm? -62.7 -46.71 86.87 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.228 -0.442 . . . . 10.66 110.644 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.421 ' N ' ' HG3' ' A' ' 67' ' ' LYS . 1.6 mppt? -60.1 -42.51 94.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 12.19 110.446 179.575 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 24.2 ttp -59.45 -37.89 79.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.033 -0.53 . . . . 8.0600000000000005 110.449 179.576 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 66' ' ' VAL . 77.2 t -73.78 -42.51 54.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.01 -0.541 . . . . 9.4100000000000001 110.76 179.673 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.434 ' O ' ' CB ' ' A' ' 75' ' ' LYS . 39.1 t80 -52.03 -59.76 3.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.424 -0.353 . . . . 14.24 110.44 179.771 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -53.53 -44.15 68.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.919 0.39 . . . . 12.800000000000001 110.377 179.698 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 20.0 m -63.6 -70.24 0.23 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.096 -0.502 . . . . 11.470000000000001 110.167 179.499 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.463 ' CD1' ' HB3' ' B' ' 62' ' ' GLN . 14.5 mt -50.25 -36.3 30.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.064 -0.516 . . . . 13.529999999999999 110.861 179.728 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.434 ' CB ' ' O ' ' A' ' 71' ' ' PHE . 17.4 ttpp -54.95 -69.32 0.13 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.107 0.48 . . . . 14.16 110.118 179.572 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.32 -31.03 71.6 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.684 -0.689 . . . . 17.68 110.716 179.656 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.598 ' C ' HD12 ' A' ' 77' ' ' LEU . 0.8 OUTLIER -64.06 -63.39 1.16 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.407 -0.361 . . . . 21.43 110.541 179.881 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.618 ' OH ' HG13 ' D' ' 70' ' ' VAL . 22.1 m-30 -55.34 -32.13 62.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.288 -0.415 . . . . 25.600000000000001 110.578 179.651 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.3 tptm -65.26 -28.95 69.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.097 -0.501 . . . . 27.280000000000001 110.527 179.76 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.61 -37.84 85.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.03 -0.532 . . . . 28.059999999999999 110.721 179.831 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 21.9 p -63.84 -57.89 8.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.912 -0.585 . . . . 33.219999999999999 110.908 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 81.2 p . . . . . 0 C--O 1.248 0.98 0 CA-C-O 118.222 -0.894 . . . . 37.409999999999997 110.994 179.96 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 6.3 mpt_? . . . . . 0 N--CA 1.487 1.41 0 CA-C-O 120.782 0.325 . . . . 43.299999999999997 111.27 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -96.14 21.0 9.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 38.740000000000002 110.969 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -63.62 -22.14 66.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.454 -0.339 . . . . 33.5 110.945 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.74 -49.44 76.57 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.266 -0.424 . . . . 30.079999999999998 111.131 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -58.56 -46.47 86.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 33.240000000000002 110.849 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 74.2 mtt180 -60.96 -33.5 73.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 28.670000000000002 110.656 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 58' ' ' LEU . . . . . 0.651 HD13 HG23 ' D' ' 73' ' ' THR . 61.7 mt -70.18 -54.51 12.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.088 -0.505 . . . . 22.489999999999998 110.87 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.25 -30.53 17.95 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.914 -0.584 . . . . 19.890000000000001 111.153 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -71.3 -62.74 1.29 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 18.129999999999999 110.962 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -56.62 -36.07 69.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.299 -0.41 . . . . 11.6 110.684 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 62' ' ' GLN . . . . . 0.511 ' O ' HG23 ' B' ' 66' ' ' VAL . 0.0 OUTLIER -70.39 -42.3 71.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 10.82 110.824 179.693 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 8.5 p -65.63 -56.41 12.35 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.277 -0.42 . . . . 16.59 110.833 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 19.1 pt-20 -49.34 -37.13 23.45 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.28 -0.418 . . . . 17.27 110.675 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.72 -41.3 97.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.491 . . . . 10.550000000000001 110.717 179.753 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 66' ' ' VAL . . . . . 0.511 HG23 ' O ' ' B' ' 62' ' ' GLN . 25.7 t -62.67 -36.48 75.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 8.1799999999999997 110.796 179.707 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 1.2 tttt -61.59 -53.35 57.47 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.058 -0.519 . . . . 14.15 110.633 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 21.8 ttmt -54.86 -36.84 65.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 9.5399999999999991 110.626 179.663 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 69' ' ' MET . . . . . . . . . . . . . 33.3 ttp -66.05 -52.8 45.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.014 -0.539 . . . . 11.109999999999999 110.563 179.791 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.626 HG13 ' OH ' ' C' ' 78' ' ' TYR . 81.1 t -69.45 -26.93 32.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.082 -0.508 . . . . 10.9 110.765 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 33.0 t80 -57.33 -43.49 83.43 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.149 -0.478 . . . . 18.120000000000001 110.547 179.759 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -67.55 -50.15 59.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 24.27 110.603 179.656 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 73' ' ' THR . . . . . 0.657 HG23 HD22 ' D' ' 58' ' ' LEU . 52.4 m -50.26 -59.02 4.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 23.719999999999999 110.784 179.749 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 74' ' ' LEU . . . . . 0.583 ' HA ' HD12 ' B' ' 77' ' ' LEU . 23.5 mt -50.36 -39.32 46.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 27.140000000000001 110.966 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 4.1 tttt -49.2 -46.83 46.25 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.274 -0.421 . . . . 28.52 110.892 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -75.71 -26.36 57.45 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.948 -0.569 . . . . 28.25 110.78 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.583 HD12 ' HA ' ' B' ' 74' ' ' LEU . 43.3 mt -69.01 -49.56 56.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.082 -0.508 . . . . 28.18 110.968 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -73.7 -27.63 61.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 33.600000000000001 111.01 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.81 -48.53 77.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.228 -0.442 . . . . 42.079999999999998 110.877 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 1.1 mtpp -54.4 -65.85 0.5 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 41.539999999999999 110.79 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 4.0 t -74.25 70.28 1.63 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 39.859999999999999 110.9 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 9.1 t . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.254 -0.879 . . . . 48.619999999999997 110.871 -179.999 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 52' ' ' ARG . . . . . . . . . . . . . 24.1 ttm180 . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.811 0.338 . . . . 45.450000000000003 111.191 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 60.4 105.05 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.123 -0.49 . . . . 35.619999999999997 110.981 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 54' ' ' ASP . . . . . 0.4 ' O ' ' HG ' ' C' ' 58' ' ' LEU . 30.9 t0 -78.97 -31.73 45.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 37.909999999999997 110.704 179.786 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.95 -35.18 77.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.435 . . . . 30.129999999999999 110.809 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -73.26 -52.44 14.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 26.719999999999999 110.391 179.586 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 57' ' ' ARG . . . . . 0.41 ' NH1' ' HB3' ' C' ' 57' ' ' ARG . 8.4 mtm105 -63.23 -39.31 94.26 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.938 -0.574 . . . . 27.379999999999999 110.361 179.46 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 58' ' ' LEU . . . . . 0.408 ' HA ' HD23 ' C' ' 58' ' ' LEU . 11.9 mt -59.94 -51.45 69.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.871 -0.604 . . . . 28.879999999999999 110.631 179.594 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -50.14 -35.94 27.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 24.460000000000001 110.9 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -67.87 -30.01 69.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.088 -0.506 . . . . 25.620000000000001 110.611 179.707 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -74.81 -50.48 17.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.002 -0.545 . . . . 27.210000000000001 110.817 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 64.4 mm-40 -54.11 -53.89 47.11 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.005 -0.543 . . . . 19.190000000000001 110.716 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 63' ' ' SER . . . . . . . . . . . . . 1.2 m -58.53 -38.81 78.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 15.92 110.732 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.74 -26.79 58.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.122 -0.49 . . . . 17.02 110.542 179.8 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 65' ' ' LEU . . . . . . . . . . . . . 4.9 mt -79.8 -32.65 40.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.072 -0.513 . . . . 17.170000000000002 110.366 179.682 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 66' ' ' VAL . . . . . . . . . . . . . 21.4 t -78.42 -38.26 22.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.943 -0.572 . . . . 9.8000000000000007 110.982 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 67' ' ' LYS . . . . . 0.418 ' HG3' ' N ' ' C' ' 68' ' ' LYS . 2.2 ptmm? -62.43 -46.82 86.81 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.238 -0.437 . . . . 18.079999999999998 110.72 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 68' ' ' LYS . . . . . 0.418 ' N ' ' HG3' ' C' ' 67' ' ' LYS . 1.6 mppt? -60.09 -42.46 94.69 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.181 -0.463 . . . . 21.460000000000001 110.402 179.607 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 69' ' ' MET . . . . . . . . . . . . . 24.0 ttp -59.46 -37.79 79.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.958 -0.565 . . . . 8.6500000000000004 110.442 179.596 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 74.0 t -73.97 -42.39 52.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.031 -0.531 . . . . 5.8200000000000003 110.815 179.666 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 71' ' ' PHE . . . . . 0.432 ' CZ ' ' HD3' ' C' ' 75' ' ' LYS . 39.0 t80 -52.13 -59.79 3.96 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.402 -0.363 . . . . 16.710000000000001 110.444 179.742 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -53.48 -44.18 68.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.926 0.393 . . . . 9.6999999999999993 110.367 179.721 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 73' ' ' THR . . . . . . . . . . . . . 19.9 m -63.63 -70.22 0.23 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.049 -0.523 . . . . 12.050000000000001 110.183 179.443 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 74' ' ' LEU . . . . . 0.461 ' CD1' ' HB3' ' D' ' 62' ' ' GLN . 14.8 mt -50.21 -36.34 30.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.08 -0.509 . . . . 18.640000000000001 110.95 179.725 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 75' ' ' LYS . . . . . 0.432 ' HD3' ' CZ ' ' C' ' 71' ' ' PHE . 17.4 ttpp -54.82 -69.57 0.13 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.069 -0.514 . . . . 19.68 110.136 179.462 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 76' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.17 -30.91 71.39 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.632 -0.713 . . . . 15.800000000000001 110.794 179.654 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 77' ' ' LEU . . . . . 0.6 ' C ' HD12 ' C' ' 77' ' ' LEU . 0.8 OUTLIER -64.23 -63.22 1.2 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.336 -0.393 . . . . 19.350000000000001 110.593 179.858 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' C' C ' 78' ' ' TYR . . . . . 0.626 ' OH ' HG13 ' B' ' 70' ' ' VAL . 22.0 m-30 -55.54 -32.08 62.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.31 -0.404 . . . . 25.940000000000001 110.555 179.646 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 1.3 tptm -65.23 -28.86 69.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.088 -0.506 . . . . 27.129999999999999 110.576 179.681 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.59 -38.1 86.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.03 -0.532 . . . . 30.329999999999998 110.598 179.76 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 81' ' ' THR . . . . . . . . . . . . . 21.8 p -63.66 -57.93 8.5 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.983 -0.553 . . . . 34.299999999999997 110.899 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 82' ' ' THR . . . . . . . . . . . . . 80.8 p . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.23 -0.89 . . . . 40.240000000000002 110.984 179.994 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 52' ' ' ARG . . . . . . . . . . . . . 6.3 mpt_? . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.753 0.311 . . . . 42.32 111.284 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -95.88 20.77 9.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 40.979999999999997 111.072 179.813 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -63.58 -21.95 66.63 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.41 -0.359 . . . . 33.979999999999997 110.94 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.9 -49.36 77.0 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.322 -0.399 . . . . 32.799999999999997 111.166 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -58.55 -46.32 87.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 31.440000000000001 110.832 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 57' ' ' ARG . . . . . . . . . . . . . 73.8 mtt180 -61.23 -33.35 73.36 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.292 -0.413 . . . . 26.07 110.655 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 58' ' ' LEU . . . . . 0.657 HD22 HG23 ' B' ' 73' ' ' THR . 62.3 mt -70.33 -54.21 13.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.148 -0.478 . . . . 18.690000000000001 110.939 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.51 -30.51 20.56 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.939 -0.573 . . . . 18.940000000000001 111.133 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 60' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -71.28 -62.9 1.23 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.195 -0.457 . . . . 23.969999999999999 110.898 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 61' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -56.55 -35.99 68.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.306 -0.406 . . . . 17.289999999999999 110.663 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 62' ' ' GLN . . . . . 0.509 ' O ' HG23 ' D' ' 66' ' ' VAL . 0.0 OUTLIER -70.57 -42.16 71.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.144 -0.48 . . . . 15.539999999999999 110.851 179.802 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' D' D ' 63' ' ' SER . . . . . . . . . . . . . 8.7 p -65.77 -56.05 14.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.25 -0.432 . . . . 12.93 110.794 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 64' ' ' GLU . . . . . . . . . . . . . 19.1 pt-20 -49.52 -37.02 25.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.292 -0.413 . . . . 9.8399999999999999 110.779 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 65' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.69 -41.62 97.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.038 -0.528 . . . . 5.7400000000000002 110.63 179.716 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 66' ' ' VAL . . . . . 0.509 HG23 ' O ' ' D' ' 62' ' ' GLN . 25.3 t -62.46 -36.48 75.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 6.5 110.838 179.764 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 67' ' ' LYS . . . . . . . . . . . . . 1.2 tttt -61.63 -53.13 60.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.048 -0.524 . . . . 16.0 110.684 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 68' ' ' LYS . . . . . . . . . . . . . 21.8 ttmt -55.07 -36.82 66.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 17.989999999999998 110.574 179.741 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 69' ' ' MET . . . . . . . . . . . . . 33.5 ttp -66.14 -52.61 46.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.041 -0.527 . . . . 13.09 110.67 179.733 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 70' ' ' VAL . . . . . 0.618 HG13 ' OH ' ' A' ' 78' ' ' TYR . 86.3 t -69.74 -26.65 31.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.081 -0.509 . . . . 15.42 110.801 179.794 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 32.7 t80 -57.53 -43.55 84.43 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.107 -0.497 . . . . 25.079999999999998 110.553 179.731 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -67.53 -49.94 61.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 28.469999999999999 110.534 179.671 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 73' ' ' THR . . . . . 0.651 HG23 HD13 ' B' ' 58' ' ' LEU . 55.3 m -50.51 -58.72 5.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.115 -0.493 . . . . 21.82 110.789 179.785 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 74' ' ' LEU . . . . . 0.586 ' HA ' HD12 ' D' ' 77' ' ' LEU . 24.9 mt -50.73 -39.08 50.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.473 . . . . 21.0 110.915 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 75' ' ' LYS . . . . . . . . . . . . . 4.0 tttt -49.39 -46.91 47.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 27.09 110.836 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 76' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -75.58 -26.48 57.95 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.012 -0.54 . . . . 31.129999999999999 110.769 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 77' ' ' LEU . . . . . 0.586 HD12 ' HA ' ' D' ' 74' ' ' LEU . 42.7 mt -68.89 -49.57 57.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.066 -0.515 . . . . 30.390000000000001 110.99 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 78' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -73.63 -27.7 61.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.262 -0.426 . . . . 31.859999999999999 111.096 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.77 -48.36 78.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.44 . . . . 39.460000000000001 110.974 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 80' ' ' LYS . . . . . . . . . . . . . 1.1 mtpp -54.59 -65.68 0.53 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 39.729999999999997 110.775 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 81' ' ' THR . . . . . . . . . . . . . 3.9 t -74.34 70.24 1.67 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 39.369999999999997 110.892 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 82' ' ' THR . . . . . . . . . . . . . 9.0 t . . . . . 0 C--O 1.248 1.005 0 CA-C-O 118.254 -0.879 . . . . 46.520000000000003 110.936 -179.996 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.375 0 CA-C-O 120.801 0.334 . . . . 41.25 111.178 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.636 ' OD1' ' HB3' ' A' ' 55' ' ' ALA . 24.4 t-20 -130.1 122.48 28.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.246 -0.434 . . . . 38.530000000000001 111.003 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.425 ' HA ' ' HG2' ' A' ' 57' ' ' ARG . 9.0 t70 -71.99 -30.07 64.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.485 . . . . 37.090000000000003 110.88 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.636 ' HB3' ' OD1' ' A' ' 53' ' ' ASN . . . -61.57 -39.83 92.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.361 -0.381 . . . . 33.689999999999998 110.791 179.756 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -63.96 -56.95 11.44 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.147 -0.479 . . . . 29.120000000000001 110.585 179.686 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.425 ' HG2' ' HA ' ' A' ' 54' ' ' ASP . 15.0 ptt180 -62.89 -43.37 98.98 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.015 -0.539 . . . . 38.060000000000002 110.074 179.366 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.619 ' C ' HD13 ' A' ' 58' ' ' LEU . 2.1 tm? -60.49 -53.17 60.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.661 -0.7 . . . . 25.140000000000001 110.474 179.562 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.436 ' N ' HD13 ' A' ' 58' ' ' LEU . . . -57.8 -44.45 86.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.006 -0.543 . . . . 20.440000000000001 110.832 179.811 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.5 -34.37 61.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 20.030000000000001 110.582 179.799 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -70.59 -40.46 73.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.49 . . . . 22.23 110.632 179.78 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.443 ' HB2' ' CD1' ' B' ' 74' ' ' LEU . 0.8 OUTLIER -64.42 -42.88 95.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.037 -0.528 . . . . 24.870000000000001 110.537 179.693 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 13.5 m -59.1 -35.66 73.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.053 -0.521 . . . . 16.670000000000002 110.564 179.763 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.43 ' O ' ' HG2' ' A' ' 67' ' ' LYS . 6.2 mt-10 -61.67 -49.24 77.29 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.107 -0.497 . . . . 25.030000000000001 110.493 179.636 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 5.9 mt -54.46 -32.57 57.97 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.15 -0.477 . . . . 17.309999999999999 110.181 179.506 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 62' ' ' GLN . 38.9 t -76.16 -50.58 22.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.893 -0.594 . . . . 14.869999999999999 111.047 179.786 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.43 ' HG2' ' O ' ' A' ' 64' ' ' GLU . 1.1 pttm -57.96 -43.55 86.52 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.325 -0.398 . . . . 13.59 110.517 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 5.4 ttpt -58.93 -39.07 80.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 12.91 110.475 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 38.2 ttp -63.54 -47.38 81.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.009 -0.541 . . . . 7.5599999999999996 110.482 179.511 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.454 HG13 ' HG ' ' A' ' 74' ' ' LEU . 64.8 t -65.02 -34.0 67.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.981 -0.554 . . . . 9.1500000000000004 110.57 179.734 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.507 ' CZ ' ' HD3' ' A' ' 75' ' ' LYS . 28.5 t80 -59.28 -60.8 3.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.334 -0.394 . . . . 11.77 110.455 179.631 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -52.79 -40.95 63.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 11.0 110.36 179.611 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 21.4 m -66.9 -70.68 0.23 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.046 -0.524 . . . . 12.119999999999999 110.37 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.662 HD12 ' HB2' ' B' ' 62' ' ' GLN . 13.3 mt -50.78 -37.62 43.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.095 -0.502 . . . . 13.890000000000001 110.994 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.507 ' HD3' ' CZ ' ' A' ' 71' ' ' PHE . 9.6 tttt -53.99 -69.32 0.13 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.031 0.443 . . . . 12.949999999999999 110.174 179.491 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.57 -29.69 70.19 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.687 -0.688 . . . . 16.390000000000001 110.807 179.597 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.615 ' C ' HD12 ' A' ' 77' ' ' LEU . 0.6 OUTLIER -66.8 -67.48 0.45 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.196 -0.456 . . . . 20.84 110.645 -179.913 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.718 ' CE2' HG21 ' D' ' 73' ' ' THR . 20.5 m-30 -50.7 -25.8 4.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.414 -0.357 . . . . 24.329999999999998 110.855 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.88 -38.02 87.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 26.629999999999999 110.858 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 15.4 tttt -67.32 -33.07 74.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 27.23 110.873 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -58.83 -44.88 91.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 33.490000000000002 111.136 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.2 p . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.36 -0.829 . . . . 36.920000000000002 110.814 -179.852 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.773 0.321 . . . . 45.439999999999998 111.126 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -98.61 20.18 13.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.281 -0.418 . . . . 40.530000000000001 111.217 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -62.55 -25.56 68.11 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.907 0.384 . . . . 35.049999999999997 110.723 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -54.38 -45.24 72.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.094 -0.503 . . . . 31.510000000000002 110.957 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -62.01 -56.48 18.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 32.799999999999997 110.612 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 8.3 mtm180 -53.01 -30.99 38.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 28.84 110.498 179.68 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 58' ' ' LEU . . . . . 0.634 HD22 HG23 ' D' ' 73' ' ' THR . 15.8 mt -68.95 -58.88 3.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.907 -0.588 . . . . 23.09 110.781 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -48.09 -34.3 9.5 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.862 -0.608 . . . . 19.66 111.036 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -63.31 -45.63 90.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.081 -0.509 . . . . 17.5 110.635 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 61' ' ' GLU . . . . . 0.568 ' O ' HD12 ' B' ' 65' ' ' LEU . 3.1 mt-10 -63.51 -33.81 76.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.229 -0.441 . . . . 11.69 110.797 179.73 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 62' ' ' GLN . . . . . 0.662 ' HB2' HD12 ' A' ' 74' ' ' LEU . 3.5 mm-40 -74.2 -47.07 37.91 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.163 -0.471 . . . . 11.470000000000001 110.574 179.754 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -53.6 -59.11 5.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 16.920000000000002 110.657 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -51.91 -36.84 50.28 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 116.213 -0.448 . . . . 19.25 110.401 179.659 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 65' ' ' LEU . . . . . 0.568 HD12 ' O ' ' B' ' 61' ' ' GLU . 0.0 OUTLIER -64.56 -51.06 64.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.963 -0.562 . . . . 10.43 110.39 179.531 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 66' ' ' VAL . . . . . 0.657 HG23 ' O ' ' B' ' 62' ' ' GLN . 21.4 t -58.71 -31.74 44.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.187 -0.46 . . . . 8.4800000000000004 110.731 179.497 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 67' ' ' LYS . . . . . 0.412 ' O ' ' N ' ' B' ' 71' ' ' PHE . 6.2 tttt -60.65 -59.14 5.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.989 -0.551 . . . . 15.44 110.975 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 68' ' ' LYS . . . . . 0.402 ' HG2' ' O ' ' B' ' 65' ' ' LEU . 1.2 ptmt -56.16 -29.87 61.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.811 0.339 . . . . 9.5800000000000001 110.71 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 69' ' ' MET . . . . . 0.648 ' HE2' HG13 ' B' ' 66' ' ' VAL . 57.5 ttp -72.07 -50.92 24.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.132 -0.486 . . . . 10.77 110.651 179.768 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.488 HG13 ' OH ' ' C' ' 78' ' ' TYR . 60.8 t -76.63 -20.52 14.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 10.880000000000001 111.161 179.823 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.412 ' N ' ' O ' ' B' ' 67' ' ' LYS . 13.2 t80 -69.15 -43.03 75.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.234 -0.439 . . . . 18.239999999999998 110.638 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -69.3 -41.09 77.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.496 . . . . 23.789999999999999 110.625 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 73' ' ' THR . . . . . 0.776 HG23 HD22 ' D' ' 58' ' ' LEU . 89.2 m -52.63 -59.28 4.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 23.0 110.614 179.795 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 74' ' ' LEU . . . . . 0.73 HD23 HD12 ' B' ' 77' ' ' LEU . 55.2 mt -52.27 -35.5 50.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 27.449999999999999 110.673 179.759 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -52.34 -43.5 64.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 29.699999999999999 110.475 179.832 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 76' ' ' ASP . . . . . 0.439 ' HA ' ' CG ' ' B' ' 79' ' ' LYS . 30.2 m-20 -76.38 -29.47 57.15 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.938 -0.574 . . . . 29.379999999999999 110.597 179.642 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.73 HD12 HD23 ' B' ' 74' ' ' LEU . 20.8 mt -66.93 -37.2 83.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.993 -0.548 . . . . 28.960000000000001 110.949 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 78' ' ' TYR . . . . . 0.412 ' CE1' HD12 ' A' ' 58' ' ' LEU . 1.6 m-85 -82.44 -59.98 2.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 35.219999999999999 111.068 -179.812 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 79' ' ' LYS . . . . . 0.439 ' CG ' ' HA ' ' B' ' 76' ' ' ASP . 0.0 OUTLIER -50.89 -26.03 5.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.283 -0.417 . . . . 41.670000000000002 110.878 -179.86 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.06 -22.8 17.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.25 -0.432 . . . . 43.57 110.99 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 81' ' ' THR . . . . . 0.467 HG23 ' O ' ' B' ' 81' ' ' THR . 14.5 t -168.23 44.35 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.383 -0.371 . . . . 42.439999999999998 110.964 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 2.2 t . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.186 -0.911 . . . . 49.32 110.955 179.951 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.773 0.32 . . . . 43.689999999999998 111.206 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 53' ' ' ASN . . . . . 0.642 ' OD1' ' HB3' ' C' ' 55' ' ' ALA . 24.4 t-20 -130.12 122.26 27.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 35.210000000000001 110.991 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 54' ' ' ASP . . . . . 0.427 ' O ' ' CB ' ' C' ' 58' ' ' LEU . 9.1 t70 -71.79 -30.12 65.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 38.869999999999997 110.878 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 55' ' ' ALA . . . . . 0.642 ' HB3' ' OD1' ' C' ' 53' ' ' ASN . . . -61.65 -39.68 92.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.315 -0.402 . . . . 30.68 110.854 179.792 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -63.96 -57.12 10.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 27.16 110.526 179.581 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 57' ' ' ARG . . . . . 0.419 ' HG2' ' HA ' ' C' ' 54' ' ' ASP . 15.0 ptt180 -62.79 -43.54 98.52 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.055 -0.521 . . . . 28.989999999999998 110.041 179.42 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 58' ' ' LEU . . . . . 0.617 ' C ' HD13 ' C' ' 58' ' ' LEU . 2.1 tm? -60.35 -53.05 62.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.653 -0.703 . . . . 29.699999999999999 110.526 179.523 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 59' ' ' ALA . . . . . 0.424 ' N ' HD13 ' C' ' 58' ' ' LEU . . . -57.6 -44.86 85.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.093 -0.503 . . . . 25.289999999999999 110.786 179.693 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.32 -34.4 60.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 24.760000000000002 110.655 179.808 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -70.52 -40.43 73.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 26.82 110.616 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 62' ' ' GLN . . . . . 0.441 ' O ' HG23 ' C' ' 66' ' ' VAL . 0.8 OUTLIER -64.54 -42.54 95.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.082 -0.508 . . . . 18.850000000000001 110.546 179.742 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 63' ' ' SER . . . . . . . . . . . . . 13.7 m -59.53 -35.47 74.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.062 -0.517 . . . . 16.149999999999999 110.542 179.739 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 64' ' ' GLU . . . . . 0.426 ' O ' ' HG2' ' C' ' 67' ' ' LYS . 6.2 mt-10 -61.79 -49.26 77.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.175 -0.466 . . . . 18.030000000000001 110.506 179.567 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 65' ' ' LEU . . . . . . . . . . . . . 6.0 mt -54.46 -32.56 57.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.086 -0.506 . . . . 18.190000000000001 110.186 179.521 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 66' ' ' VAL . . . . . 0.441 HG23 ' O ' ' C' ' 62' ' ' GLN . 38.9 t -76.17 -50.7 21.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.819 -0.628 . . . . 9.9800000000000004 111.069 179.754 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 67' ' ' LYS . . . . . 0.426 ' HG2' ' O ' ' C' ' 64' ' ' GLU . 1.0 OUTLIER -57.82 -43.47 85.75 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.32 -0.4 . . . . 16.629999999999999 110.602 179.922 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 68' ' ' LYS . . . . . . . . . . . . . 5.3 ttpt -58.99 -39.11 80.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.018 -0.537 . . . . 22.57 110.448 179.581 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 69' ' ' MET . . . . . . . . . . . . . 38.1 ttp -63.62 -47.34 81.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.068 -0.514 . . . . 8.8900000000000006 110.446 179.548 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 70' ' ' VAL . . . . . 0.459 HG13 ' HG ' ' C' ' 74' ' ' LEU . 72.1 t -65.13 -34.17 68.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.085 -0.507 . . . . 6.8399999999999999 110.705 179.625 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 71' ' ' PHE . . . . . 0.498 ' CZ ' ' HD3' ' C' ' 75' ' ' LYS . 28.4 t80 -58.85 -60.9 3.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.26 -0.427 . . . . 18.23 110.357 179.63 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -52.8 -40.93 63.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.291 -0.413 . . . . 12.0 110.434 179.635 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 73' ' ' THR . . . . . . . . . . . . . 21.2 m -66.92 -70.54 0.24 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.011 -0.541 . . . . 11.18 110.471 179.647 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 74' ' ' LEU . . . . . 0.731 HD12 ' HB2' ' D' ' 62' ' ' GLN . 13.5 mt -50.96 -37.44 44.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.064 -0.516 . . . . 18.34 111.077 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 75' ' ' LYS . . . . . 0.498 ' HD3' ' CZ ' ' C' ' 71' ' ' PHE . 9.6 tttt -54.2 -68.98 0.14 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 20.120000000000001 110.221 179.46 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 76' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.77 -29.61 70.25 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.708 -0.678 . . . . 16.789999999999999 110.811 179.579 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 77' ' ' LEU . . . . . 0.613 ' C ' HD12 ' C' ' 77' ' ' LEU . 0.6 OUTLIER -66.81 -67.4 0.45 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.229 -0.441 . . . . 19.719999999999999 110.72 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 78' ' ' TYR . . . . . 0.766 ' CE2' HG21 ' B' ' 73' ' ' THR . 20.5 m-30 -50.72 -25.95 4.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.462 -0.335 . . . . 26.609999999999999 110.804 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.71 -38.15 88.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.297 -0.41 . . . . 27.850000000000001 110.896 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 15.2 tttt -67.21 -33.3 75.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.146 -0.479 . . . . 31.620000000000001 110.88 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 81' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -58.59 -45.13 89.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 35.189999999999998 111.182 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 82' ' ' THR . . . . . . . . . . . . . 2.2 p . . . . . 0 C--O 1.25 1.109 0 CA-C-O 118.329 -0.843 . . . . 41.289999999999999 110.883 -179.871 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.415 0 CA-C-O 120.741 0.305 . . . . 41.780000000000001 111.145 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -98.54 20.17 13.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 40.130000000000003 111.202 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -62.44 -25.54 68.03 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.88 0.372 . . . . 33.590000000000003 110.837 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 55' ' ' ALA . . . . . . . . . . . . . . . -54.41 -45.14 72.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.495 . . . . 31.960000000000001 111.031 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -62.05 -56.51 18.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 30.960000000000001 110.69 179.778 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 57' ' ' ARG . . . . . . . . . . . . . 8.3 mtm180 -53.07 -30.9 38.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 23.23 110.481 179.708 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 58' ' ' LEU . . . . . 0.776 HD22 HG23 ' B' ' 73' ' ' THR . 15.6 mt -69.13 -58.52 3.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.865 -0.607 . . . . 18.780000000000001 110.887 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 59' ' ' ALA . . . . . . . . . . . . . . . -48.53 -34.05 10.63 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.872 -0.604 . . . . 18.710000000000001 111.084 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 60' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -63.45 -45.83 89.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.11 -0.495 . . . . 23.710000000000001 110.68 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 61' ' ' GLU . . . . . 0.581 ' O ' HD12 ' D' ' 65' ' ' LEU . 3.1 mt-10 -63.2 -33.85 76.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 16.829999999999998 110.857 179.811 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 62' ' ' GLN . . . . . 0.731 ' HB2' HD12 ' C' ' 74' ' ' LEU . 3.4 mm-40 -74.55 -46.87 36.15 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.187 -0.46 . . . . 14.779999999999999 110.681 179.791 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 63' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -53.55 -58.53 6.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 12.98 110.514 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 64' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -52.26 -36.88 53.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 7.8499999999999996 110.417 179.601 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 65' ' ' LEU . . . . . 0.581 HD12 ' O ' ' D' ' 61' ' ' GLU . 0.0 OUTLIER -64.46 -51.03 65.12 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.014 -0.539 . . . . 5.7999999999999998 110.376 179.488 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' D' D ' 66' ' ' VAL . . . . . 0.656 HG13 ' HE2' ' D' ' 69' ' ' MET . 21.5 t -58.72 -31.89 45.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.489 . . . . 5.9100000000000001 110.576 179.641 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 67' ' ' LYS . . . . . 0.401 ' O ' ' N ' ' D' ' 71' ' ' PHE . 6.2 tttt -60.78 -58.97 6.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.927 -0.578 . . . . 14.76 110.933 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 68' ' ' LYS . . . . . 0.41 ' HG2' ' O ' ' D' ' 65' ' ' LEU . 1.2 ptmt -56.22 -29.87 61.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.874 0.368 . . . . 14.01 110.786 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 69' ' ' MET . . . . . 0.656 ' HE2' HG13 ' D' ' 66' ' ' VAL . 57.7 ttp -72.1 -50.87 24.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 12.710000000000001 110.653 179.811 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 70' ' ' VAL . . . . . 0.506 HG13 ' OH ' ' A' ' 78' ' ' TYR . 58.8 t -77.13 -19.89 14.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 14.98 111.187 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 71' ' ' PHE . . . . . 0.401 ' N ' ' O ' ' D' ' 67' ' ' LYS . 13.1 t80 -69.57 -43.06 73.66 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.329 -0.396 . . . . 24.460000000000001 110.583 179.689 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -69.14 -41.19 77.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.078 -0.51 . . . . 28.289999999999999 110.583 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 73' ' ' THR . . . . . 0.718 HG21 ' CE2' ' A' ' 78' ' ' TYR . 87.9 m -52.45 -59.6 4.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 22.5 110.62 179.793 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 74' ' ' LEU . . . . . 0.704 HD23 HD12 ' D' ' 77' ' ' LEU . 56.4 mt -52.02 -35.68 47.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 21.059999999999999 110.708 179.725 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 75' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -52.08 -43.62 63.94 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.214 -0.448 . . . . 26.25 110.492 179.764 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 76' ' ' ASP . . . . . 0.44 ' HA ' ' CG ' ' D' ' 79' ' ' LYS . 30.2 m-20 -76.36 -29.62 57.26 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.012 -0.54 . . . . 30.620000000000001 110.51 179.728 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 77' ' ' LEU . . . . . 0.704 HD12 HD23 ' D' ' 74' ' ' LEU . 21.0 mt -66.81 -37.22 84.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.07 -0.514 . . . . 30.32 110.941 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 78' ' ' TYR . . . . . 0.447 ' CE1' HD12 ' C' ' 58' ' ' LEU . 1.6 m-85 -82.21 -60.15 2.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 31.98 111.055 -179.784 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 79' ' ' LYS . . . . . 0.44 ' CG ' ' HA ' ' D' ' 76' ' ' ASP . 0.0 OUTLIER -50.83 -26.09 5.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 40.740000000000002 111.014 -179.907 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' D' D ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.01 -22.81 16.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 39.420000000000002 111.005 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 81' ' ' THR . . . . . 0.455 HG23 ' O ' ' D' ' 81' ' ' THR . 14.5 t -168.28 44.55 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.361 -0.381 . . . . 40.799999999999997 110.866 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 82' ' ' THR . . . . . . . . . . . . . 2.2 t . . . . . 0 C--O 1.248 0.991 0 CA-C-O 118.243 -0.884 . . . . 45.880000000000003 110.869 179.951 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.3 ttt85 . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.808 0.337 . . . . 46.780000000000001 111.158 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -132.41 96.04 3.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 36.219999999999999 110.902 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.431 ' O ' ' CB ' ' A' ' 58' ' ' LEU . 0.5 OUTLIER -77.21 -25.41 51.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.122 -0.49 . . . . 37.490000000000002 110.885 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.77 -39.89 93.24 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.421 -0.354 . . . . 30.620000000000001 110.891 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -61.06 -57.11 13.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.222 -0.445 . . . . 27.379999999999999 110.6 179.737 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 1.2 mtm180 -65.74 -47.66 74.51 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.006 -0.543 . . . . 26.609999999999999 110.341 179.542 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.632 ' C ' HD13 ' A' ' 58' ' ' LEU . 2.4 tm? -54.3 -41.56 69.09 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.67 -0.695 . . . . 27.670000000000002 110.726 179.613 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.13 -40.68 86.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.059 -0.519 . . . . 24.989999999999998 111.056 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 58.4 t0 -58.48 -34.82 71.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 26.739999999999998 110.823 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -61.41 -56.34 21.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 26.780000000000001 110.83 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.416 ' HB2' ' CD1' ' B' ' 74' ' ' LEU . 6.3 mp0 -51.66 -39.01 57.39 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.006 -0.543 . . . . 19.870000000000001 110.698 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.59 -44.17 91.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.12 -0.491 . . . . 16.030000000000001 110.652 179.746 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.412 ' O ' ' HG2' ' A' ' 67' ' ' LYS . 0.1 OUTLIER -60.99 -20.43 62.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.467 . . . . 17.920000000000002 110.872 179.773 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.4 mt -78.92 -36.92 41.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.968 0.413 . . . . 15.66 110.204 179.458 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.418 ' O ' HG23 ' A' ' 70' ' ' VAL . 46.6 t -73.94 -40.02 52.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.898 -0.592 . . . . 10.09 110.75 179.463 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.437 ' CG ' ' N ' ' A' ' 68' ' ' LYS . 18.8 ptmt -64.94 -49.74 69.18 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.091 -0.504 . . . . 18.48 110.594 179.785 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.437 ' N ' ' CG ' ' A' ' 67' ' ' LYS . 0.0 OUTLIER -62.89 -34.61 77.76 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.134 -0.485 . . . . 21.809999999999999 110.25 179.583 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 7.3 tmm? -69.61 -45.67 68.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.805 -0.634 . . . . 8.5899999999999999 110.257 179.45 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 66' ' ' VAL . 45.2 t -66.09 -35.07 74.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.031 -0.532 . . . . 4.96 110.5 179.618 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.479 ' CZ ' ' HE2' ' A' ' 75' ' ' LYS . 65.0 t80 -52.76 -60.36 3.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.288 -0.415 . . . . 14.92 110.404 179.662 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.59 -49.89 61.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 7.9699999999999998 110.783 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.412 HG21 ' CE ' ' C' ' 69' ' ' MET . 19.8 m -57.62 -71.45 0.1 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.318 -0.401 . . . . 12.94 110.198 179.647 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.654 HD12 ' HB2' ' B' ' 62' ' ' GLN . 14.3 mt -49.7 -35.6 22.39 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.132 -0.485 . . . . 18.809999999999999 110.872 179.804 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.479 ' HE2' ' CZ ' ' A' ' 71' ' ' PHE . 6.6 ttmm -55.23 -67.72 0.25 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.021 -0.536 . . . . 22.039999999999999 110.204 179.544 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.63 -31.5 72.69 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.601 -0.727 . . . . 15.24 110.908 179.676 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.575 ' O ' HD12 ' A' ' 77' ' ' LEU . 1.1 tp -64.68 -60.32 3.24 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.396 -0.365 . . . . 19.34 110.75 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.553 ' CZ ' HG21 ' D' ' 73' ' ' THR . 22.0 m-30 -57.3 -23.8 50.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.357 -0.383 . . . . 25.690000000000001 110.762 179.625 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 24.7 mttt -69.48 -30.11 67.92 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.245 -0.434 . . . . 27.109999999999999 110.791 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -60.53 -26.54 66.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.245 -0.434 . . . . 30.079999999999998 110.864 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.526 HG22 ' CZ ' ' D' ' 78' ' ' TYR . 23.1 p -83.95 -60.36 2.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 34.619999999999997 110.872 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.61 HG23 ' OXT' ' A' ' 82' ' ' THR . 7.0 t . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.3 -0.857 . . . . 39.770000000000003 110.887 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 28.7 mmm180 . . . . . 0 N--CA 1.486 1.331 0 CA-C-O 120.836 0.351 . . . . 45.289999999999999 111.227 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 53' ' ' ASN . . . . . 0.675 ' ND2' ' HB3' ' B' ' 55' ' ' ALA . 0.4 OUTLIER -51.38 166.95 0.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 40.990000000000002 110.935 -179.943 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 54' ' ' ASP . . . . . 0.402 ' HA ' ' HG2' ' B' ' 57' ' ' ARG . 31.1 m-20 -63.99 -23.87 67.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 34.509999999999998 111.06 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 55' ' ' ALA . . . . . 0.675 ' HB3' ' ND2' ' B' ' 53' ' ' ASN . . . -52.54 -36.65 56.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.283 -0.417 . . . . 33.119999999999997 111.191 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.59 -59.72 3.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.293 -0.412 . . . . 31.329999999999998 110.862 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 57' ' ' ARG . . . . . 0.439 ' HG3' ' N ' ' B' ' 58' ' ' LEU . 0.0 OUTLIER -50.8 -30.78 15.1 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.302 -0.408 . . . . 23.699999999999999 110.713 179.925 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 58' ' ' LEU . . . . . 0.846 HD22 HG23 ' D' ' 73' ' ' THR . 4.2 mt -72.13 -62.71 1.33 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.108 -0.496 . . . . 18.690000000000001 110.816 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -44.89 -29.97 0.91 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.983 -0.553 . . . . 18.5 111.051 179.731 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -70.97 -41.91 70.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.985 -0.552 . . . . 22.379999999999999 110.224 179.364 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 61' ' ' GLU . . . . . 0.727 ' O ' HD12 ' B' ' 65' ' ' LEU . 0.6 OUTLIER -66.98 -31.36 71.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.971 -0.559 . . . . 16.489999999999998 110.404 179.523 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 62' ' ' GLN . . . . . 0.654 ' HB2' HD12 ' A' ' 74' ' ' LEU . 12.4 mm-40 -72.85 -47.52 45.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.958 -0.565 . . . . 15.19 110.575 179.796 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.12 -60.5 3.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.481 . . . . 13.01 110.589 179.754 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -53.15 -31.82 44.48 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 116.253 -0.43 . . . . 10.77 110.346 179.599 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 65' ' ' LEU . . . . . 0.727 HD12 ' O ' ' B' ' 61' ' ' GLU . 0.1 OUTLIER -71.18 -50.57 31.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.985 -0.552 . . . . 5.2000000000000002 110.295 179.522 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 66' ' ' VAL . . . . . 0.468 HG23 ' O ' ' B' ' 62' ' ' GLN . 59.3 t -63.63 -32.28 56.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.185 -0.461 . . . . 6.9800000000000004 110.846 179.612 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 67' ' ' LYS . . . . . 0.408 ' HB2' ' HB3' ' A' ' 67' ' ' LYS . 22.6 tttt -64.07 -53.64 46.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.1 -0.5 . . . . 18.16 110.954 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 15.8 mttt -57.35 -33.01 67.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.458 . . . . 18.649999999999999 110.742 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 69' ' ' MET . . . . . . . . . . . . . 28.7 ttp -69.96 -49.64 49.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 12.699999999999999 110.797 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.417 HG13 ' CE1' ' C' ' 78' ' ' TYR . 95.7 t -74.95 -22.73 17.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 15.140000000000001 111.062 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -63.41 -45.2 92.11 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.414 -0.357 . . . . 24.68 110.591 179.669 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.76 -45.04 76.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.064 -0.517 . . . . 27.809999999999999 110.773 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 73' ' ' THR . . . . . 0.833 HG23 HD22 ' D' ' 58' ' ' LEU . 54.4 m -49.97 -54.65 18.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.231 -0.441 . . . . 20.68 110.852 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 74' ' ' LEU . . . . . 0.88 HD23 HD12 ' B' ' 77' ' ' LEU . 41.3 mt -54.19 -40.3 67.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 21.120000000000001 110.841 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.34 -47.3 62.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.448 . . . . 27.77 110.655 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -72.23 -31.07 65.5 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.989 -0.551 . . . . 31.16 110.555 179.707 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.88 HD12 HD23 ' B' ' 74' ' ' LEU . 25.3 mt -62.64 -48.97 77.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.944 -0.571 . . . . 30.460000000000001 110.746 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 78' ' ' TYR . . . . . 0.453 ' CZ ' HG22 ' C' ' 81' ' ' THR . 54.9 m-85 -79.83 -28.31 40.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.064 -0.517 . . . . 32.770000000000003 110.874 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.12 -20.38 62.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.059 -0.519 . . . . 38.310000000000002 111.16 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.57 -26.76 65.56 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.463 -0.335 . . . . 41.259999999999998 111.263 -179.81 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 1.8 t -145.01 89.41 1.96 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.375 -0.375 . . . . 40.979999999999997 111.078 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 13.6 t . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.175 -0.917 . . . . 47.590000000000003 110.893 179.931 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 52' ' ' ARG . . . . . . . . . . . . . 2.4 ttt85 . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.775 0.322 . . . . 44.890000000000001 111.181 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -132.45 96.14 3.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 40.619999999999997 110.845 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 54' ' ' ASP . . . . . 0.424 ' O ' ' CB ' ' C' ' 58' ' ' LEU . 0.5 OUTLIER -77.31 -25.24 51.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 39.159999999999997 110.904 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.97 -39.84 93.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.37 -0.377 . . . . 35.049999999999997 110.853 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -61.0 -57.26 13.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 30.09 110.579 179.726 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 57' ' ' ARG . . . . . . . . . . . . . 1.2 mtm180 -65.7 -47.54 75.07 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.001 -0.545 . . . . 38.130000000000003 110.295 179.605 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 58' ' ' LEU . . . . . 0.623 ' C ' HD13 ' C' ' 58' ' ' LEU . 2.4 tm? -54.36 -41.83 69.58 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.677 -0.692 . . . . 27.879999999999999 110.69 179.609 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.88 -40.78 85.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.058 -0.519 . . . . 21.050000000000001 111.06 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 58.2 t0 -58.51 -34.57 71.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.236 -0.438 . . . . 18.129999999999999 110.828 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -61.63 -56.32 21.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 20.140000000000001 110.812 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 62' ' ' GLN . . . . . 0.414 ' N ' ' OE1' ' C' ' 62' ' ' GLN . 6.3 mp0 -51.57 -39.02 57.07 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.025 -0.534 . . . . 23.800000000000001 110.697 179.814 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 63' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.74 -44.05 91.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.112 -0.494 . . . . 18.02 110.689 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 64' ' ' GLU . . . . . 0.417 ' O ' ' HG2' ' C' ' 67' ' ' LYS . 0.1 OUTLIER -60.96 -20.5 62.38 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.138 -0.483 . . . . 25.02 110.899 179.762 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' C' C ' 65' ' ' LEU . . . . . . . . . . . . . 3.3 mt -78.9 -36.61 41.75 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.962 0.411 . . . . 18.510000000000002 110.244 179.534 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 66' ' ' VAL . . . . . 0.427 ' O ' HG23 ' C' ' 70' ' ' VAL . 46.3 t -74.31 -39.94 49.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.95 -0.568 . . . . 14.56 110.729 179.492 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 67' ' ' LYS . . . . . 0.441 ' CG ' ' N ' ' C' ' 68' ' ' LYS . 18.8 ptmt -64.91 -49.56 69.96 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.071 -0.513 . . . . 9.0800000000000001 110.571 179.759 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 68' ' ' LYS . . . . . 0.441 ' N ' ' CG ' ' C' ' 67' ' ' LYS . 0.0 OUTLIER -63.1 -34.71 78.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.112 -0.494 . . . . 13.43 110.155 179.604 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' C' C ' 69' ' ' MET . . . . . 0.412 ' CE ' HG21 ' A' ' 73' ' ' THR . 7.3 tmm? -69.51 -45.96 67.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.86 -0.609 . . . . 8.9700000000000006 110.242 179.462 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 70' ' ' VAL . . . . . 0.427 HG23 ' O ' ' C' ' 66' ' ' VAL . 46.2 t -65.81 -35.22 74.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.967 -0.56 . . . . 9.3399999999999999 110.49 179.595 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 71' ' ' PHE . . . . . 0.47 ' CZ ' ' HE2' ' C' ' 75' ' ' LYS . 64.9 t80 -52.64 -60.45 3.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.275 -0.42 . . . . 15.68 110.415 179.68 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.52 -49.82 61.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.282 -0.417 . . . . 14.1 110.697 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 73' ' ' THR . . . . . . . . . . . . . 19.7 m -57.74 -71.55 0.1 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.383 -0.372 . . . . 10.27 110.191 179.715 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 74' ' ' LEU . . . . . 0.709 HD12 ' HB2' ' D' ' 62' ' ' GLN . 14.5 mt -49.65 -35.31 20.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.131 -0.486 . . . . 12.880000000000001 110.899 179.801 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 75' ' ' LYS . . . . . 0.47 ' HE2' ' CZ ' ' C' ' 71' ' ' PHE . 6.6 ttmm -55.53 -67.87 0.25 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.074 -0.512 . . . . 14.789999999999999 110.167 179.436 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 76' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.41 -31.6 72.8 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.625 -0.716 . . . . 17.98 110.926 179.687 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 77' ' ' LEU . . . . . 0.571 ' O ' HD12 ' C' ' 77' ' ' LEU . 1.1 tp -64.59 -60.24 3.35 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.307 -0.406 . . . . 21.170000000000002 110.751 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 78' ' ' TYR . . . . . 0.637 ' CZ ' HG21 ' B' ' 73' ' ' THR . 22.0 m-30 -57.5 -23.59 51.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.336 -0.393 . . . . 26.129999999999999 110.74 179.691 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 24.7 mttt -69.59 -30.08 67.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.304 -0.407 . . . . 23.960000000000001 110.796 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -60.63 -26.4 67.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.213 -0.449 . . . . 29.34 110.911 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 81' ' ' THR . . . . . 0.537 ' OG1' HD22 ' B' ' 77' ' ' LEU . 23.4 p -84.02 -60.29 2.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 33.219999999999999 110.872 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 82' ' ' THR . . . . . 0.612 ' OXT' HG23 ' C' ' 82' ' ' THR . 7.0 t . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.229 -0.891 . . . . 38.009999999999998 110.924 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 52' ' ' ARG . . . . . . . . . . . . . 28.7 mmm180 . . . . . 0 N--CA 1.487 1.391 0 CA-C-O 120.809 0.338 . . . . 47.189999999999998 111.217 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' D' D ' 53' ' ' ASN . . . . . 0.671 ' ND2' ' HB3' ' D' ' 55' ' ' ALA . 0.4 OUTLIER -51.13 167.08 0.08 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 39.609999999999999 110.984 -179.942 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -64.1 -23.95 67.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 33.479999999999997 110.992 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 55' ' ' ALA . . . . . 0.671 ' HB3' ' ND2' ' D' ' 53' ' ' ASN . . . -52.56 -36.59 56.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.304 -0.407 . . . . 29.77 111.192 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.58 -59.86 3.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 33.719999999999999 110.871 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 57' ' ' ARG . . . . . 0.438 ' HG3' ' N ' ' D' ' 58' ' ' LEU . 0.0 OUTLIER -50.81 -30.77 15.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.266 -0.424 . . . . 25.699999999999999 110.754 179.913 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' D' D ' 58' ' ' LEU . . . . . 0.833 HD22 HG23 ' B' ' 73' ' ' THR . 4.2 mt -72.28 -61.9 1.63 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.063 -0.517 . . . . 22.489999999999998 110.808 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 59' ' ' ALA . . . . . . . . . . . . . . . -45.61 -29.95 1.37 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.993 -0.549 . . . . 20.239999999999998 111.058 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 60' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -71.05 -41.66 70.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.972 -0.558 . . . . 18.719999999999999 110.239 179.425 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 61' ' ' GLU . . . . . 0.725 ' O ' HD12 ' D' ' 65' ' ' LEU . 0.6 OUTLIER -67.07 -31.25 71.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.011 -0.541 . . . . 12.140000000000001 110.484 179.548 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' D' D ' 62' ' ' GLN . . . . . 0.709 ' HB2' HD12 ' C' ' 74' ' ' LEU . 12.4 mm-40 -72.92 -47.74 43.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.927 -0.578 . . . . 10.859999999999999 110.624 179.699 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 63' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.84 -60.45 3.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 16.52 110.573 179.735 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 64' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -53.18 -31.85 44.86 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 116.279 -0.419 . . . . 17.91 110.376 179.626 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 65' ' ' LEU . . . . . 0.725 HD12 ' O ' ' D' ' 61' ' ' GLU . 0.1 OUTLIER -71.17 -50.29 34.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.961 -0.563 . . . . 10.48 110.414 179.472 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' D' D ' 66' ' ' VAL . . . . . 0.466 HG23 ' O ' ' D' ' 62' ' ' GLN . 58.9 t -63.89 -32.3 56.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.117 -0.492 . . . . 7.9500000000000002 110.793 179.622 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 67' ' ' LYS . . . . . 0.415 ' HB2' ' HB3' ' C' ' 67' ' ' LYS . 22.7 tttt -64.01 -53.79 44.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.013 -0.539 . . . . 11.76 110.898 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 68' ' ' LYS . . . . . . . . . . . . . 15.9 mttt -57.33 -32.89 67.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 10.289999999999999 110.764 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 69' ' ' MET . . . . . . . . . . . . . 28.4 ttp -70.05 -49.66 49.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 10.960000000000001 110.759 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 70' ' ' VAL . . . . . 0.478 HG13 ' CE1' ' A' ' 78' ' ' TYR . 96.8 t -74.79 -22.94 17.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.057 -0.519 . . . . 10.619999999999999 111.034 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -63.23 -45.25 92.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.342 -0.39 . . . . 17.690000000000001 110.677 179.662 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.74 -45.08 76.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 24.27 110.786 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 73' ' ' THR . . . . . 0.846 HG23 HD22 ' B' ' 58' ' ' LEU . 54.0 m -49.91 -54.7 18.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 24.25 110.885 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 74' ' ' LEU . . . . . 0.874 HD23 HD12 ' D' ' 77' ' ' LEU . 41.5 mt -54.07 -40.43 67.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 27.109999999999999 110.835 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.25 -47.21 62.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 27.920000000000002 110.715 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 76' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -72.32 -31.22 65.49 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.947 -0.57 . . . . 28.07 110.535 179.686 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 77' ' ' LEU . . . . . 0.874 HD12 HD23 ' D' ' 74' ' ' LEU . 25.5 mt -62.36 -49.18 76.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.959 -0.564 . . . . 28.710000000000001 110.775 179.793 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 78' ' ' TYR . . . . . 0.526 ' CZ ' HG22 ' A' ' 81' ' ' THR . 54.9 m-85 -79.8 -28.22 40.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.065 -0.516 . . . . 34.020000000000003 110.855 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.18 -20.26 62.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.036 -0.529 . . . . 41.810000000000002 111.24 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.71 -26.58 65.34 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.425 -0.352 . . . . 42.130000000000003 111.212 -179.8 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 81' ' ' THR . . . . . . . . . . . . . 1.8 t -145.14 89.35 1.94 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.862 0.363 . . . . 41.439999999999998 111.064 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 82' ' ' THR . . . . . . . . . . . . . 13.6 t . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.246 -0.883 . . . . 48.979999999999997 110.887 179.941 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 11.9 ptt180 . . . . . 0 N--CA 1.487 1.411 0 CA-C-O 120.794 0.331 . . . . 43.18 111.131 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -82.4 58.28 4.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 39.579999999999998 110.972 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.424 ' O ' ' CB ' ' A' ' 58' ' ' LEU . 6.9 m-20 -55.08 -25.71 33.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.25 -0.432 . . . . 37.189999999999998 110.858 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.02 -41.48 98.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 34.039999999999999 110.562 179.727 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -62.41 -57.73 10.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.1 -0.5 . . . . 29.390000000000001 110.483 179.612 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 15.3 ptp180 -61.44 -44.76 96.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.953 -0.567 . . . . 35.369999999999997 110.175 179.406 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.623 ' C ' HD13 ' A' ' 58' ' ' LEU . 1.6 tm? -58.68 -44.97 90.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.651 -0.704 . . . . 24.77 110.471 179.496 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -55.78 -37.26 68.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.973 -0.558 . . . . 20.780000000000001 110.856 179.754 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -62.13 -38.28 88.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.036 -0.529 . . . . 21.170000000000002 110.643 179.798 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 56.1 tt0 -55.44 -63.93 1.01 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.489 . . . . 23.16 110.735 179.749 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.431 ' N ' ' OE1' ' A' ' 62' ' ' GLN . 0.1 OUTLIER -50.76 -38.69 49.37 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.005 -0.543 . . . . 25.120000000000001 110.808 179.797 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.411 ' HB3' ' HG2' ' B' ' 67' ' ' LYS . 4.9 m -59.5 -30.76 68.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 16.800000000000001 110.628 179.737 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.03 -38.98 66.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.078 -0.51 . . . . 24.629999999999999 110.707 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 23.8 mt -56.76 -41.19 77.16 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.097 -0.501 . . . . 15.960000000000001 110.74 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 62.0 t -67.97 -49.27 69.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.055 -0.521 . . . . 14.19 111.01 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.9 tttm -55.41 -51.03 68.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 14.35 110.608 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -54.3 -39.3 66.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 11.890000000000001 110.579 179.676 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.662 ' HE2' HG21 ' C' ' 73' ' ' THR . 53.9 ttp -65.59 -40.69 92.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 7.4400000000000004 110.568 179.754 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.459 HG13 ' HG ' ' A' ' 74' ' ' LEU . 73.5 t -71.17 -41.52 75.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.029 -0.532 . . . . 8.9000000000000004 110.837 179.755 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.498 ' CZ ' ' HD3' ' A' ' 75' ' ' LYS . 19.6 t80 -51.95 -60.77 2.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.34 -0.391 . . . . 9.1500000000000004 110.591 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -52.23 -45.73 65.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 11.380000000000001 110.771 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.65 HG21 ' HE2' ' C' ' 69' ' ' MET . 18.5 m -64.2 -69.3 0.29 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.354 -0.384 . . . . 13.300000000000001 110.356 179.714 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.47 ' CD1' ' CB ' ' B' ' 62' ' ' GLN . 14.8 mt -50.37 -36.09 31.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 14.76 110.961 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.498 ' HD3' ' CZ ' ' A' ' 71' ' ' PHE . 7.8 tttp -55.46 -67.6 0.27 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.121 0.486 . . . . 13.24 110.107 179.408 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.51 -32.03 72.88 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.543 -0.753 . . . . 16.390000000000001 110.842 179.59 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.548 ' C ' HD12 ' A' ' 77' ' ' LEU . 1.2 tp -65.58 -65.04 0.73 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.329 -0.396 . . . . 21.23 110.629 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.645 ' OH ' HG13 ' D' ' 70' ' ' VAL . 22.7 m-30 -55.85 -24.63 37.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 23.579999999999998 110.759 179.67 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.09 -27.72 64.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.311 -0.404 . . . . 28.75 110.47 179.661 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.46 -41.77 96.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.106 -0.497 . . . . 27.539999999999999 110.687 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 70.9 p -60.34 -77.66 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.035 -0.53 . . . . 33.039999999999999 110.764 179.791 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.8 t . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.249 -0.881 . . . . 37.159999999999997 110.834 179.866 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.798 0.332 . . . . 45.75 111.215 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 53' ' ' ASN . . . . . 0.583 ' OD1' ' HB3' ' B' ' 55' ' ' ALA . 2.8 p30 -162.27 176.66 10.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 39.409999999999997 110.913 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -54.65 -42.24 71.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 33.759999999999998 110.949 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 55' ' ' ALA . . . . . 0.583 ' HB3' ' OD1' ' B' ' 53' ' ' ASN . . . -51.58 -38.02 52.49 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.079 -0.509 . . . . 31.199999999999999 111.022 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.53 -52.21 23.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 29.52 110.837 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 17.7 mtt180 -57.79 -26.67 62.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 30.760000000000002 110.684 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 58' ' ' LEU . . . . . 0.879 HD13 ' CG2' ' D' ' 73' ' ' THR . 24.8 mt -76.21 -51.95 11.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.112 -0.495 . . . . 21.879999999999999 110.886 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.08 -50.52 72.53 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.991 -0.549 . . . . 18.800000000000001 110.954 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -59.57 -51.23 70.71 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.175 -0.466 . . . . 18.149999999999999 110.882 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 61' ' ' GLU . . . . . 0.405 ' O ' ' HG2' ' B' ' 64' ' ' GLU . 21.6 tp10 -58.27 -36.67 73.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 11.5 110.727 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 62' ' ' GLN . . . . . 0.515 ' O ' HG23 ' B' ' 66' ' ' VAL . 0.1 OUTLIER -73.93 -49.46 24.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.986 -0.552 . . . . 11.24 110.891 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 1.5 m -58.71 -55.63 32.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.891 0.377 . . . . 16.649999999999999 110.349 179.615 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 64' ' ' GLU . . . . . 0.439 ' HG3' ' N ' ' B' ' 65' ' ' LEU . 10.4 pt-20 -48.2 -37.71 16.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.079 -0.509 . . . . 19.039999999999999 110.685 179.567 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 65' ' ' LEU . . . . . 0.439 ' N ' ' HG3' ' B' ' 64' ' ' GLU . 0.1 OUTLIER -63.03 -40.39 97.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.93 -0.577 . . . . 9.5099999999999998 110.594 179.657 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 66' ' ' VAL . . . . . 0.515 HG23 ' O ' ' B' ' 62' ' ' GLN . 3.5 t -64.19 -38.64 83.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.092 -0.504 . . . . 8.4800000000000004 110.95 179.801 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 67' ' ' LYS . . . . . 0.411 ' HG2' ' HB3' ' A' ' 63' ' ' SER . 0.0 OUTLIER -54.99 -63.8 1.04 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.048 -0.524 . . . . 17.23 110.735 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 1.3 ttmp? -50.82 -32.33 19.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.279 -0.419 . . . . 9.6199999999999992 110.638 179.751 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 69' ' ' MET . . . . . 0.452 ' HE2' HG13 ' B' ' 66' ' ' VAL . 26.4 ttp -68.28 -53.16 26.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.009 -0.541 . . . . 10.98 110.653 179.719 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.72 HG13 ' OH ' ' C' ' 78' ' ' TYR . 58.9 t -69.98 -25.13 27.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 11.699999999999999 110.842 179.756 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -59.81 -45.9 90.9 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.125 -0.489 . . . . 18.620000000000001 110.669 179.762 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.71 -46.36 79.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.12 -0.491 . . . . 24.109999999999999 110.676 179.752 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 73' ' ' THR . . . . . 0.88 ' CG2' HD13 ' D' ' 58' ' ' LEU . 96.5 m -51.84 -60.79 2.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 22.07 110.82 179.788 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 74' ' ' LEU . . . . . 0.776 HD23 HD12 ' B' ' 77' ' ' LEU . 29.5 mt -50.2 -47.41 54.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 26.899999999999999 110.998 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 6.4 tttt -49.94 -41.45 46.39 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.338 -0.392 . . . . 29.899999999999999 110.835 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -79.11 -26.69 42.89 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.957 -0.565 . . . . 29.48 110.771 179.779 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.776 HD12 HD23 ' B' ' 74' ' ' LEU . 18.7 mt -67.6 -46.26 73.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.065 -0.516 . . . . 28.859999999999999 111.036 -179.867 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -71.23 -60.49 2.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 34.799999999999997 111.025 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 16.6 ptmt -52.1 -26.01 10.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 40.729999999999997 111.171 -179.66 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.42 -52.91 62.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.368 -0.378 . . . . 43.409999999999997 110.874 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 12.1 p -68.73 64.56 0.12 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 42.829999999999998 110.908 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 15.0 t . . . . . 0 C--O 1.25 1.127 0 CA-C-O 118.182 -0.913 . . . . 51.32 110.864 -179.974 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 52' ' ' ARG . . . . . . . . . . . . . 11.9 ptt180 . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.853 0.358 . . . . 46.329999999999998 111.202 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 53' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -82.55 58.4 4.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.119 -0.491 . . . . 36.520000000000003 110.98 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 54' ' ' ASP . . . . . 0.418 ' O ' ' CB ' ' C' ' 58' ' ' LEU . 6.9 m-20 -55.23 -25.83 35.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.462 . . . . 40.149999999999999 110.852 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.93 -41.27 97.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.323 -0.399 . . . . 31.329999999999998 110.6 179.694 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -62.46 -57.98 9.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.465 . . . . 27.739999999999998 110.376 179.552 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 57' ' ' ARG . . . . . . . . . . . . . 15.3 ptp180 -61.22 -44.9 96.52 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.949 -0.568 . . . . 28.850000000000001 110.178 179.461 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 58' ' ' LEU . . . . . 0.63 ' C ' HD13 ' C' ' 58' ' ' LEU . 1.6 tm? -58.49 -45.11 89.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.657 -0.702 . . . . 30.27 110.525 179.453 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 59' ' ' ALA . . . . . 0.41 ' O ' HD12 ' D' ' 74' ' ' LEU . . . -55.67 -37.33 68.15 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.916 -0.584 . . . . 25.0 110.882 179.672 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -62.06 -38.25 88.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.095 -0.502 . . . . 24.52 110.68 179.782 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 56.2 tt0 -55.46 -63.94 1.01 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.071 -0.513 . . . . 25.25 110.737 179.758 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 62' ' ' GLN . . . . . 0.428 ' N ' ' OE1' ' C' ' 62' ' ' GLN . 0.1 OUTLIER -50.78 -38.6 49.11 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.989 -0.551 . . . . 18.579999999999998 110.85 179.783 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' C' C ' 63' ' ' SER . . . . . . . . . . . . . 5.2 m -59.53 -30.93 68.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.117 -0.492 . . . . 16.32 110.606 179.73 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.91 -38.77 66.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.08 -0.509 . . . . 18.75 110.791 179.747 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 65' ' ' LEU . . . . . . . . . . . . . 23.4 mt -56.93 -41.23 77.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.471 . . . . 18.579999999999998 110.719 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 66' ' ' VAL . . . . . . . . . . . . . 61.6 t -67.94 -49.3 69.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.105 -0.498 . . . . 10.19 110.955 179.785 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 67' ' ' LYS . . . . . . . . . . . . . 7.8 tttm -55.07 -51.28 66.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 14.83 110.683 179.717 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 68' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -54.21 -39.44 66.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 22.23 110.668 179.721 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 69' ' ' MET . . . . . 0.65 ' HE2' HG21 ' A' ' 73' ' ' THR . 53.9 ttp -65.4 -40.66 93.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.109 -0.496 . . . . 9.3699999999999992 110.65 179.684 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 70' ' ' VAL . . . . . 0.455 HG13 ' HG ' ' C' ' 74' ' ' LEU . 73.5 t -71.24 -41.28 74.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.047 -0.524 . . . . 7.4000000000000004 110.826 179.81 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 71' ' ' PHE . . . . . 0.49 ' CZ ' ' HD3' ' C' ' 75' ' ' LYS . 19.7 t80 -52.36 -60.56 3.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.409 -0.36 . . . . 19.170000000000002 110.557 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -52.23 -45.98 65.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.279 -0.419 . . . . 12.08 110.695 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 73' ' ' THR . . . . . 0.662 HG21 ' HE2' ' A' ' 69' ' ' MET . 18.7 m -63.92 -69.35 0.28 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.29 -0.414 . . . . 9.9000000000000004 110.362 179.738 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 74' ' ' LEU . . . . . 0.476 ' CD1' ' CB ' ' D' ' 62' ' ' GLN . 14.9 mt -50.42 -36.1 31.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 17.379999999999999 110.962 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 75' ' ' LYS . . . . . 0.49 ' HD3' ' CZ ' ' C' ' 71' ' ' PHE . 7.9 tttp -55.53 -67.46 0.28 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.13 -0.486 . . . . 20.0 110.06 179.49 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 76' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.56 -32.09 73.0 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.641 -0.708 . . . . 17.050000000000001 110.799 179.601 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 77' ' ' LEU . . . . . 0.537 ' C ' HD12 ' C' ' 77' ' ' LEU . 1.2 tp -65.51 -65.18 0.71 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.297 -0.41 . . . . 19.52 110.642 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 78' ' ' TYR . . . . . 0.72 ' OH ' HG13 ' B' ' 70' ' ' VAL . 22.7 m-30 -55.75 -24.68 36.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.433 . . . . 26.289999999999999 110.703 179.776 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.89 -27.91 65.19 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.319 -0.4 . . . . 27.059999999999999 110.494 179.621 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.3 -41.65 96.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.092 -0.504 . . . . 31.510000000000002 110.799 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 81' ' ' THR . . . . . . . . . . . . . 69.5 p -60.57 -77.54 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.061 -0.518 . . . . 34.329999999999998 110.791 179.8 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 82' ' ' THR . . . . . . . . . . . . . 2.8 t . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.214 -0.898 . . . . 40.890000000000001 110.873 179.882 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' D' D ' 52' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.816 0.341 . . . . 46.0 111.241 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' D' D ' 53' ' ' ASN . . . . . 0.579 ' OD1' ' HB3' ' D' ' 55' ' ' ALA . 2.9 p30 -162.41 176.53 10.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 40.43 110.976 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -54.55 -42.16 70.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 32.600000000000001 110.923 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 55' ' ' ALA . . . . . 0.579 ' HB3' ' OD1' ' D' ' 53' ' ' ASN . . . -51.72 -37.96 53.23 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.121 -0.49 . . . . 31.52 110.995 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.6 -52.1 23.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 30.43 110.816 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 57' ' ' ARG . . . . . . . . . . . . . 17.5 mtt180 -57.73 -26.77 62.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 22.559999999999999 110.735 179.792 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 58' ' ' LEU . . . . . 0.88 HD13 ' CG2' ' B' ' 73' ' ' THR . 23.8 mt -76.01 -52.65 9.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.038 -0.528 . . . . 18.68 110.896 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 59' ' ' ALA . . . . . . . . . . . . . . . -56.45 -50.79 70.66 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.008 -0.542 . . . . 19.09 110.909 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 60' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -59.43 -51.33 70.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 24.800000000000001 110.884 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 61' ' ' GLU . . . . . . . . . . . . . 21.5 tp10 -58.09 -36.71 73.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.233 -0.44 . . . . 17.02 110.754 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 62' ' ' GLN . . . . . 0.505 ' O ' HG23 ' D' ' 66' ' ' VAL . 0.0 OUTLIER -74.05 -49.65 23.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.022 -0.535 . . . . 14.619999999999999 110.919 179.931 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' D' D ' 63' ' ' SER . . . . . . . . . . . . . 1.5 m -58.31 -55.61 32.82 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.979 0.418 . . . . 13.4 110.319 179.702 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 64' ' ' GLU . . . . . 0.439 ' HG3' ' N ' ' D' ' 65' ' ' LEU . 10.3 pt-20 -48.34 -37.64 17.14 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.972 -0.558 . . . . 8.3499999999999996 110.583 179.581 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 65' ' ' LEU . . . . . 0.439 ' N ' ' HG3' ' D' ' 64' ' ' GLU . 0.1 OUTLIER -63.04 -40.48 97.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.953 -0.567 . . . . 6.0 110.614 179.653 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' D' D ' 66' ' ' VAL . . . . . 0.505 HG23 ' O ' ' D' ' 62' ' ' GLN . 3.6 t -64.11 -38.62 82.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.068 -0.514 . . . . 5.6299999999999999 110.964 179.765 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.96 -63.77 1.05 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.086 -0.506 . . . . 12.74 110.804 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 68' ' ' LYS . . . . . . . . . . . . . 1.3 ttmp? -50.77 -32.31 19.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.22 -0.445 . . . . 17.629999999999999 110.596 179.759 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 69' ' ' MET . . . . . 0.455 ' HE2' HG13 ' D' ' 66' ' ' VAL . 26.3 ttp -68.06 -53.53 24.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.011 -0.541 . . . . 12.93 110.668 179.65 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 70' ' ' VAL . . . . . 0.645 HG13 ' OH ' ' A' ' 78' ' ' TYR . 58.7 t -69.89 -24.88 27.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.06 -0.518 . . . . 15.140000000000001 110.862 179.756 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 26.2 t80 -59.97 -46.04 90.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 24.0 110.617 179.719 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.58 -46.39 79.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 28.149999999999999 110.63 179.699 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 73' ' ' THR . . . . . 0.879 ' CG2' HD13 ' B' ' 58' ' ' LEU . 97.3 m -51.82 -60.72 2.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.101 -0.5 . . . . 23.399999999999999 110.864 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 74' ' ' LEU . . . . . 0.774 HD23 HD12 ' D' ' 77' ' ' LEU . 29.3 mt -50.36 -47.35 56.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.487 . . . . 21.66 110.919 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 75' ' ' LYS . . . . . . . . . . . . . 6.6 tttt -49.98 -41.34 46.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.939 0.399 . . . . 25.989999999999998 110.795 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 76' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -79.28 -26.64 42.3 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.991 -0.55 . . . . 29.550000000000001 110.729 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 77' ' ' LEU . . . . . 0.774 HD12 HD23 ' D' ' 74' ' ' LEU . 18.9 mt -67.5 -46.38 73.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.07 -0.514 . . . . 30.66 111.039 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 78' ' ' TYR . . . . . 0.512 ' CE1' HD12 ' C' ' 58' ' ' LEU . 2.5 m-85 -71.11 -60.43 2.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.096 -0.502 . . . . 31.84 111.145 -179.847 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 79' ' ' LYS . . . . . . . . . . . . . 16.6 ptmt -52.14 -26.14 10.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 41.18 111.123 -179.715 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.39 -53.0 61.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.353 -0.385 . . . . 39.789999999999999 110.763 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 81' ' ' THR . . . . . . . . . . . . . 11.9 p -68.58 64.52 0.11 Allowed 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 116.264 -0.426 . . . . 41.409999999999997 110.975 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 82' ' ' THR . . . . . . . . . . . . . 15.1 t . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.187 -0.911 . . . . 48.119999999999997 110.944 -179.969 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.403 0 CA-C-O 120.801 0.334 . . . . 47.170000000000002 111.183 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -62.44 88.52 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 40.189999999999998 110.983 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.71 -34.04 66.84 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.3 -0.409 . . . . 42.670000000000002 110.681 179.772 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.505 ' HB1' ' CG ' ' B' ' 78' ' ' TYR . . . -59.83 -39.96 86.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 34.299999999999997 110.61 179.604 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -67.51 -55.93 11.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.083 -0.508 . . . . 29.41 110.426 179.534 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.49 -42.2 91.61 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.794 -0.639 . . . . 34.030000000000001 110.41 179.491 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.42 HD23 ' HA ' ' A' ' 58' ' ' LEU . 14.5 mt -58.08 -47.4 83.33 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.905 -0.589 . . . . 32.25 110.644 179.604 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.6 -38.85 56.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 23.57 110.996 179.758 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.7 -28.59 64.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.06 -0.518 . . . . 20.850000000000001 110.677 179.773 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -78.74 -40.28 33.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 22.800000000000001 110.651 179.811 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.423 ' HB2' HD13 ' B' ' 74' ' ' LEU . 54.6 mm-40 -66.82 -40.29 87.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.054 -0.521 . . . . 18.780000000000001 110.44 179.652 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.9 p -62.77 -38.22 89.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 18.140000000000001 110.548 179.634 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.416 ' HA ' ' HG2' ' A' ' 67' ' ' LYS . 1.9 mm-40 -60.49 -37.53 81.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 21.039999999999999 110.731 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.79 -34.04 77.41 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.132 -0.486 . . . . 19.829999999999998 110.726 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.433 ' O ' HG23 ' A' ' 70' ' ' VAL . 48.2 t -81.99 -33.43 11.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 12.41 111.624 -179.757 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.416 ' HG2' ' HA ' ' A' ' 64' ' ' GLU . 14.0 ptmt -73.94 -30.37 62.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.981 0.42 . . . . 9.0700000000000003 110.384 179.672 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 13.7 ttmt -74.49 -44.22 52.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.848 -0.615 . . . . 18.41 110.445 179.619 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.515 ' SD ' HG21 ' C' ' 73' ' ' THR . 6.4 ptt? -63.44 -37.47 87.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.26 -0.427 . . . . 9.4100000000000001 110.261 179.575 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 66' ' ' VAL . 46.9 t -70.69 -40.19 76.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.014 -0.539 . . . . 8.8599999999999994 110.309 179.234 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.427 ' O ' ' CB ' ' A' ' 75' ' ' LYS . 67.0 t80 -54.15 -59.69 4.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.057 -0.52 . . . . 20.460000000000001 110.224 179.446 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -53.33 -46.16 69.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 14.619999999999999 110.474 179.735 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.418 HG21 ' SD ' ' C' ' 69' ' ' MET . 18.3 m -60.65 -70.23 0.19 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.22 -0.446 . . . . 8.2799999999999994 110.199 179.519 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.724 HD12 ' HB2' ' B' ' 62' ' ' GLN . 15.5 mt -51.41 -35.66 40.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 15.15 110.944 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.427 ' CB ' ' O ' ' A' ' 71' ' ' PHE . 8.3 tttt -55.43 -68.61 0.18 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.108 -0.496 . . . . 18.969999999999999 110.186 179.474 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.19 -31.21 72.3 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.651 -0.704 . . . . 18.82 110.76 179.677 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.713 ' O ' HD12 ' A' ' 77' ' ' LEU . 1.7 tp -64.88 -46.13 83.07 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.421 -0.354 . . . . 20.719999999999999 110.457 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.526 ' CD1' HD11 ' D' ' 77' ' ' LEU . 21.2 m-30 -71.37 -23.2 61.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 28.199999999999999 110.595 179.523 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.1 tppp? -74.55 -28.99 61.19 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.326 -0.397 . . . . 26.18 110.507 179.608 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 2.2 mttm -68.29 -36.28 79.14 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.13 -0.486 . . . . 31.350000000000001 110.821 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -62.36 -61.78 2.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.076 -0.511 . . . . 34.060000000000002 110.879 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 52.1 p . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.203 -0.903 . . . . 39.850000000000001 110.894 -179.967 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.843 0.354 . . . . 48.219999999999999 111.202 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -153.93 179.68 8.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.462 . . . . 37.75 110.997 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -63.62 -23.84 67.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.077 -0.51 . . . . 31.800000000000001 111.042 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -52.13 -43.23 63.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.291 -0.413 . . . . 29.010000000000002 110.774 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -71.75 -49.44 39.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.018 -0.537 . . . . 31.399999999999999 110.516 179.672 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -54.97 -34.99 63.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 23.469999999999999 110.522 179.612 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 58' ' ' LEU . . . . . 0.912 HD22 HG23 ' D' ' 73' ' ' THR . 8.6 mt -65.45 -60.95 2.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.951 -0.568 . . . . 20.170000000000002 110.712 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -45.75 -32.66 2.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.941 -0.572 . . . . 19.59 111.182 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 46.7 t0 -65.05 -43.98 90.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.96 -0.564 . . . . 23.57 110.474 179.699 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 62.0 mm-40 -66.31 -34.99 79.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.108 -0.497 . . . . 17.48 110.496 179.63 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 62' ' ' GLN . . . . . 0.724 ' HB2' HD12 ' A' ' 74' ' ' LEU . 3.0 mm-40 -70.36 -45.76 65.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.058 -0.519 . . . . 10.83 110.574 179.572 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.03 -60.39 3.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.071 -0.513 . . . . 14.08 110.573 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -51.2 -33.05 25.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.313 -0.403 . . . . 10.01 110.407 179.612 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.35 -49.09 62.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.934 -0.575 . . . . 8.1699999999999999 110.446 179.574 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 66' ' ' VAL . . . . . 0.661 HG13 ' HE2' ' B' ' 69' ' ' MET . 26.2 t -64.35 -32.74 58.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 5.7400000000000002 111.003 179.787 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -59.61 -60.48 3.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.112 -0.495 . . . . 6.1600000000000001 110.795 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 20.1 tttt -53.91 -34.09 58.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.919 0.39 . . . . 14.52 110.666 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 69' ' ' MET . . . . . 0.661 ' HE2' HG13 ' B' ' 66' ' ' VAL . 47.8 ttp -65.6 -49.51 68.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.066 -0.515 . . . . 12.51 110.451 179.736 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 92.3 t -74.67 -24.38 18.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.97 -0.559 . . . . 14.01 110.935 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 28.3 t80 -61.43 -43.76 98.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.278 -0.419 . . . . 20.010000000000002 110.58 179.706 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -68.77 -43.46 75.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 26.390000000000001 110.581 179.746 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 73' ' ' THR . . . . . 0.937 HG23 HD22 ' D' ' 58' ' ' LEU . 88.9 m -57.87 -55.47 34.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.208 -0.451 . . . . 24.969999999999999 110.84 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 74' ' ' LEU . . . . . 0.599 HD23 HD12 ' B' ' 77' ' ' LEU . 85.3 mt -54.06 -42.11 68.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 23.699999999999999 110.705 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.03 -42.33 60.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 25.120000000000001 110.699 179.8 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 76' ' ' ASP . . . . . 0.439 ' HA ' ' CD ' ' B' ' 79' ' ' LYS . 8.4 m-20 -80.05 -23.85 41.09 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.962 -0.563 . . . . 28.030000000000001 110.982 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.599 HD12 HD23 ' B' ' 74' ' ' LEU . 26.4 mt -69.66 -35.04 74.82 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.215 -0.448 . . . . 28.91 111.13 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 78' ' ' TYR . . . . . 0.505 ' CG ' ' HB1' ' A' ' 55' ' ' ALA . 24.3 m-85 -81.18 -58.56 3.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.304 -0.407 . . . . 31.300000000000001 111.08 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 79' ' ' LYS . . . . . 0.439 ' CD ' ' HA ' ' B' ' 76' ' ' ASP . 1.5 pttt -48.36 -27.6 2.67 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.263 -0.426 . . . . 42.950000000000003 111.034 -179.801 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 7.3 ttmt -52.13 -53.63 40.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.312 -0.404 . . . . 38.950000000000003 110.776 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 2.0 t -109.5 80.55 1.33 Allowed 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 116.186 -0.461 . . . . 39.479999999999997 111.072 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.216 -0.897 . . . . 45.280000000000001 110.935 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.863 0.363 . . . . 46.030000000000001 111.099 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 53' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -62.38 88.55 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.134 -0.485 . . . . 39.299999999999997 111.012 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.87 -33.9 66.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 36.630000000000003 110.677 179.832 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.9 -39.95 87.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 32.759999999999998 110.578 179.595 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -67.6 -55.93 11.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.929 -0.578 . . . . 28.609999999999999 110.401 179.596 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.37 -42.59 91.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.865 -0.607 . . . . 32.490000000000002 110.386 179.539 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 58' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' C' ' 58' ' ' LEU . 14.8 mt -57.72 -47.39 82.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.829 -0.623 . . . . 24.600000000000001 110.669 179.664 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.74 -38.61 56.05 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.105 -0.498 . . . . 22.120000000000001 110.857 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.97 -28.57 64.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 24.379999999999999 110.631 179.825 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -78.78 -40.03 34.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 26.129999999999999 110.716 179.737 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 53.9 mm-40 -67.03 -40.21 87.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.01 -0.541 . . . . 24.010000000000002 110.451 179.638 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 63' ' ' SER . . . . . 0.42 ' HB2' ' CG ' ' D' ' 67' ' ' LYS . 4.9 p -62.86 -38.38 90.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.087 -0.506 . . . . 16.329999999999998 110.474 179.687 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 64' ' ' GLU . . . . . 0.411 ' O ' ' HG2' ' C' ' 67' ' ' LYS . 1.9 mm-40 -60.33 -37.54 80.94 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.115 -0.493 . . . . 21.52 110.772 179.795 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 65' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.75 -34.2 77.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 14.529999999999999 110.782 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 66' ' ' VAL . . . . . 0.444 ' O ' HG23 ' C' ' 70' ' ' VAL . 48.0 t -81.84 -33.39 11.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 12.35 111.66 -179.755 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 67' ' ' LYS . . . . . 0.411 ' HG2' ' O ' ' C' ' 64' ' ' GLU . 14.0 ptmt -74.18 -30.08 62.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.93 0.395 . . . . 18.82 110.317 179.832 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 68' ' ' LYS . . . . . . . . . . . . . 13.7 ttmt -74.7 -44.25 51.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.916 -0.584 . . . . 16.109999999999999 110.434 179.6 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 69' ' ' MET . . . . . 0.431 ' HG2' ' O ' ' C' ' 66' ' ' VAL . 6.3 ptt? -63.28 -37.44 87.25 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.239 -0.437 . . . . 6.8899999999999997 110.233 179.467 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 70' ' ' VAL . . . . . 0.444 HG23 ' O ' ' C' ' 66' ' ' VAL . 48.0 t -70.81 -40.12 76.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.997 -0.547 . . . . 6.5999999999999996 110.298 179.28 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 71' ' ' PHE . . . . . 0.426 ' O ' ' CB ' ' C' ' 75' ' ' LYS . 66.5 t80 -54.26 -59.73 4.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 8.1500000000000004 110.168 179.485 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -53.2 -46.09 68.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.268 -0.424 . . . . 10.029999999999999 110.511 179.704 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 73' ' ' THR . . . . . 0.515 HG21 ' SD ' ' A' ' 69' ' ' MET . 18.1 m -60.83 -70.28 0.19 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 14.48 110.209 179.586 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 74' ' ' LEU . . . . . 0.737 HD12 ' HB2' ' D' ' 62' ' ' GLN . 15.3 mt -51.43 -35.42 39.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.066 -0.515 . . . . 17.039999999999999 110.949 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 75' ' ' LYS . . . . . 0.426 ' CB ' ' O ' ' C' ' 71' ' ' PHE . 8.3 tttt -55.76 -68.4 0.21 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.204 -0.453 . . . . 17.140000000000001 110.218 179.465 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 76' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.13 -31.38 72.5 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.723 -0.671 . . . . 14.66 110.794 179.534 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 77' ' ' LEU . . . . . 0.723 ' O ' HD12 ' C' ' 77' ' ' LEU . 1.7 tp -64.65 -46.28 83.18 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.354 -0.384 . . . . 20.350000000000001 110.53 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 78' ' ' TYR . . . . . 0.537 ' CD1' HD11 ' B' ' 77' ' ' LEU . 21.2 m-30 -71.32 -23.21 61.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 23.5 110.641 179.568 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 1.1 tppp? -74.51 -29.18 61.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.298 -0.41 . . . . 28.609999999999999 110.491 179.525 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 2.2 mttm -67.94 -36.52 80.28 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.149 -0.478 . . . . 26.989999999999998 110.832 179.8 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 81' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -62.26 -61.59 2.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.081 -0.509 . . . . 32.479999999999997 110.953 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 82' ' ' THR . . . . . . . . . . . . . 52.3 p . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.289 -0.862 . . . . 37.420000000000002 110.896 179.991 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' D' D ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.762 0.315 . . . . 46.890000000000001 111.241 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 53' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -153.91 179.59 8.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 41.850000000000001 111.043 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -63.56 -23.97 67.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 35.399999999999999 111.109 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 55' ' ' ALA . . . . . . . . . . . . . . . -52.06 -43.06 63.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.943 0.401 . . . . 33.530000000000001 110.82 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -71.87 -49.41 38.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.055 -0.52 . . . . 30.260000000000002 110.538 179.647 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 57' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -54.96 -35.13 63.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 33.299999999999997 110.516 179.596 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 58' ' ' LEU . . . . . 0.937 HD22 HG23 ' B' ' 73' ' ' THR . 8.5 mt -65.37 -60.6 2.8 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.008 -0.542 . . . . 21.16 110.747 179.837 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 59' ' ' ALA . . . . . . . . . . . . . . . -46.21 -32.41 3.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.919 -0.582 . . . . 17.27 111.091 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 60' ' ' ASP . . . . . . . . . . . . . 46.9 t0 -65.23 -44.2 88.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.095 -0.502 . . . . 19.420000000000002 110.481 179.649 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 61' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 -65.84 -35.16 79.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 13.369999999999999 110.5 179.617 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 62' ' ' GLN . . . . . 0.737 ' HB2' HD12 ' C' ' 74' ' ' LEU . 2.9 mm-40 -70.22 -46.5 64.39 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.86 -0.609 . . . . 13.31 110.513 179.643 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 63' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.35 -60.35 3.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.087 -0.506 . . . . 15.48 110.652 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 64' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -51.2 -33.17 26.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.26 -0.427 . . . . 16.27 110.422 179.658 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.22 -49.18 62.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.994 -0.548 . . . . 7.9699999999999998 110.424 179.492 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 66' ' ' VAL . . . . . 0.653 HG23 ' O ' ' D' ' 62' ' ' GLN . 27.4 t -64.2 -32.84 59.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.169 -0.469 . . . . 7.96 111.018 179.837 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 67' ' ' LYS . . . . . 0.42 ' CG ' ' HB2' ' C' ' 63' ' ' SER . 0.9 OUTLIER -59.57 -60.31 4.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.05 -0.523 . . . . 20.489999999999998 110.873 179.939 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' D' D ' 68' ' ' LYS . . . . . . . . . . . . . 20.1 tttt -54.0 -34.21 59.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.425 . . . . 14.27 110.662 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 69' ' ' MET . . . . . 0.617 ' HE2' HG13 ' D' ' 66' ' ' VAL . 47.0 ttp -65.44 -49.29 69.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.063 -0.517 . . . . 11.970000000000001 110.569 179.632 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 70' ' ' VAL . . . . . . . . . . . . . 93.6 t -74.85 -24.39 18.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.953 -0.567 . . . . 13.970000000000001 110.991 179.775 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 28.5 t80 -61.38 -43.84 98.17 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.3 -0.409 . . . . 21.120000000000001 110.55 179.688 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -68.73 -43.38 76.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.066 -0.515 . . . . 25.379999999999999 110.73 179.753 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 73' ' ' THR . . . . . 0.912 HG23 HD22 ' B' ' 58' ' ' LEU . 87.8 m -57.99 -55.4 35.35 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.162 -0.472 . . . . 20.289999999999999 110.826 179.81 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 74' ' ' LEU . . . . . 0.604 HD23 HD12 ' D' ' 77' ' ' LEU . 85.4 mt -54.01 -42.24 68.88 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.138 -0.483 . . . . 24.789999999999999 110.746 179.83 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 75' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -50.86 -42.3 58.75 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.17 -0.468 . . . . 30.390000000000001 110.755 179.78 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 76' ' ' ASP . . . . . 0.439 ' HA ' ' CD ' ' D' ' 79' ' ' LYS . 8.5 m-20 -79.96 -24.23 41.12 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.99 -0.55 . . . . 30.789999999999999 111.023 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 77' ' ' LEU . . . . . 0.604 HD12 HD23 ' D' ' 74' ' ' LEU . 26.3 mt -69.31 -35.24 75.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.138 -0.483 . . . . 29.23 111.06 -179.848 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 78' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -81.13 -58.26 3.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.275 -0.421 . . . . 34.479999999999997 111.156 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 79' ' ' LYS . . . . . 0.439 ' CD ' ' HA ' ' D' ' 76' ' ' ASP . 1.5 pttt -48.69 -27.36 2.84 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.229 -0.442 . . . . 38.840000000000003 111.008 -179.842 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 80' ' ' LYS . . . . . . . . . . . . . 7.3 ttmt -52.39 -53.56 43.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 43.030000000000001 110.785 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 81' ' ' THR . . . . . . . . . . . . . 2.0 t -109.53 80.56 1.33 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.156 -0.474 . . . . 41.770000000000003 110.996 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 82' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.22 -0.895 . . . . 49.479999999999997 110.905 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 10.9 ttm-85 . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.77 0.319 . . . . 45.890000000000001 111.178 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 48.1 t-20 -150.86 64.97 0.92 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.45 . . . . 41.68 110.879 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -53.34 -29.54 34.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 39.170000000000002 110.822 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.41 -44.61 94.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.323 -0.399 . . . . 35.57 110.785 179.742 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 77.3 tt0 -62.48 -51.23 68.28 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.135 -0.484 . . . . 30.739999999999998 110.437 179.598 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 2.7 ttp180 -64.11 -46.88 82.25 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.875 -0.602 . . . . 38.759999999999998 110.386 179.587 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' A' ' 58' ' ' LEU . 14.6 mt -53.95 -46.41 71.57 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.881 -0.6 . . . . 27.07 110.551 179.581 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.65 -41.91 61.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.07 -0.514 . . . . 20.850000000000001 110.609 179.701 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -66.1 -32.23 73.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.888 -0.596 . . . . 20.199999999999999 110.515 179.617 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -68.86 -45.87 69.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.079 -0.509 . . . . 22.449999999999999 110.615 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 38.4 mm-40 -63.68 -38.11 89.87 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.029 -0.532 . . . . 24.870000000000001 110.487 179.645 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.7 m -62.48 -40.39 96.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.02 -0.537 . . . . 17.109999999999999 110.543 179.642 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -59.1 -36.59 75.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.019 -0.537 . . . . 25.960000000000001 110.6 179.703 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.401 ' O ' ' HG3' ' A' ' 68' ' ' LYS . 1.1 mt -63.8 -41.35 97.93 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.028 -0.533 . . . . 17.260000000000002 110.74 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 36.9 t -74.71 -45.36 44.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 14.789999999999999 110.71 179.789 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.7 tttm -58.5 -56.37 23.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.007 -0.542 . . . . 11.6 110.57 179.647 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.401 ' HG3' ' O ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -55.39 -31.28 61.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.263 -0.426 . . . . 12.48 110.483 179.76 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.506 ' HE2' HG21 ' C' ' 73' ' ' THR . 66.5 ttp -69.62 -39.18 77.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.038 -0.528 . . . . 7.6600000000000001 110.665 179.709 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 70.2 t -74.24 -35.74 41.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.05 -0.523 . . . . 9.2599999999999998 110.869 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.43 ' O ' ' CB ' ' A' ' 75' ' ' LYS . 56.3 t80 -56.25 -63.68 1.11 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.4 -0.364 . . . . 12.81 110.517 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -51.05 -40.32 58.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.37 -0.377 . . . . 12.67 110.643 179.772 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.587 HG21 ' HE2' ' C' ' 69' ' ' MET . 21.7 m -66.44 -73.34 0.13 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.242 -0.435 . . . . 12.109999999999999 110.385 179.732 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.659 HD12 ' HB2' ' B' ' 62' ' ' GLN . 17.4 mt -49.57 -36.85 25.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.035 -0.53 . . . . 13.869999999999999 111.028 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.43 ' CB ' ' O ' ' A' ' 71' ' ' PHE . 10.4 tttt -57.32 -67.51 0.32 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.192 0.52 . . . . 13.74 109.971 179.332 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.16 -26.89 69.02 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.558 -0.746 . . . . 17.030000000000001 110.786 179.699 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.615 ' C ' HD12 ' A' ' 77' ' ' LEU . 0.6 OUTLIER -68.21 -59.75 2.98 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.43 -0.35 . . . . 21.289999999999999 110.437 179.831 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.842 ' OH ' HG13 ' D' ' 70' ' ' VAL . 20.0 m-85 -60.21 -24.49 64.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.881 0.372 . . . . 25.41 110.38 179.372 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 8.4 tttt -66.11 -35.62 80.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 25.48 110.39 179.571 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.95 -30.36 69.64 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.004 -0.544 . . . . 27.649999999999999 110.888 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.0 -78.37 0.06 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.147 -0.478 . . . . 33.799999999999997 110.879 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.8 p . . . . . 0 C--O 1.248 0.985 0 CA-C-O 118.201 -0.904 . . . . 38.490000000000002 110.893 -179.999 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 3.2 mmt-85 . . . . . 0 N--CA 1.487 1.402 0 CA-C-O 120.828 0.347 . . . . 48.189999999999998 111.116 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -148.08 173.75 12.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.075 -0.512 . . . . 39.82 110.809 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.93 -17.47 62.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 33.460000000000001 111.454 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -48.96 -39.02 24.81 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.908 0.385 . . . . 30.399999999999999 111.211 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -77.48 -48.27 17.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.146 -0.479 . . . . 31.050000000000001 110.686 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 20.2 mmm180 -54.02 -35.71 62.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.015 0.436 . . . . 27.309999999999999 110.388 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 58' ' ' LEU . . . . . 0.905 HD22 HG23 ' D' ' 73' ' ' THR . 13.3 mt -65.59 -63.86 1.0 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.916 -0.584 . . . . 22.52 110.842 179.814 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -46.69 -27.39 1.16 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.836 -0.62 . . . . 19.59 111.326 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.02 -60.75 2.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 20.079999999999998 110.92 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -60.11 -24.43 64.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.308 -0.406 . . . . 11.68 110.628 179.715 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 62' ' ' GLN . . . . . 0.693 ' O ' HG23 ' B' ' 66' ' ' VAL . 2.4 mm-40 -72.79 -43.99 62.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.099 -0.5 . . . . 11.4 111.011 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 1.4 m -64.39 -59.33 4.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.331 -0.395 . . . . 17.0 110.817 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -48.96 -33.41 10.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.47 . . . . 16.539999999999999 110.934 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.97 -44.0 86.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.056 -0.52 . . . . 10.34 110.898 179.77 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 66' ' ' VAL . . . . . 0.693 HG23 ' O ' ' B' ' 62' ' ' GLN . 3.4 t -62.99 -35.24 70.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.09 -0.505 . . . . 8.4499999999999993 111.392 -179.821 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.56 -54.3 47.12 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.268 -0.424 . . . . 15.710000000000001 110.982 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 14.4 tttt -54.43 -35.82 63.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.304 -0.407 . . . . 9.5999999999999996 111.005 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 69' ' ' MET . . . . . 0.46 ' HE1' ' HB3' ' D' ' 62' ' ' GLN . 40.1 ttp -68.87 -50.93 45.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 11.25 110.828 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.79 HG13 ' OH ' ' C' ' 78' ' ' TYR . 58.7 t -75.02 -20.04 16.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 11.02 111.367 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -66.63 -43.99 83.2 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.884 0.373 . . . . 18.27 110.689 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -68.65 -43.26 76.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 23.829999999999998 110.707 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 73' ' ' THR . . . . . 0.855 HG23 HD22 ' D' ' 58' ' ' LEU . 55.8 m -56.16 -55.94 27.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 23.620000000000001 110.935 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 74' ' ' LEU . . . . . 0.524 ' HA ' HD12 ' B' ' 77' ' ' LEU . 24.5 mt -49.96 -41.09 45.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.434 . . . . 27.350000000000001 110.925 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.63 -47.03 63.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.968 0.414 . . . . 29.210000000000001 110.561 179.773 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.93 -32.09 67.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.907 -0.588 . . . . 28.84 110.532 179.675 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.531 HD11 ' CD1' ' C' ' 78' ' ' TYR . 20.3 mt -61.51 -53.19 59.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.972 -0.558 . . . . 28.690000000000001 110.684 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -73.94 -36.56 64.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.082 -0.508 . . . . 34.299999999999997 110.707 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.42 -23.56 67.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.083 -0.508 . . . . 40.060000000000002 111.043 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -69.98 -22.59 63.13 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.32 -0.4 . . . . 42.450000000000003 110.976 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 81' ' ' THR . . . . . 0.499 HG23 ' O ' ' B' ' 81' ' ' THR . 8.6 t -157.21 68.27 0.54 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.368 -0.378 . . . . 40.710000000000001 110.883 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 1.6 t . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.137 -0.935 . . . . 48.439999999999998 110.974 -179.983 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 52' ' ' ARG . . . . . . . . . . . . . 10.6 ttm-85 . . . . . 0 N--CA 1.485 1.324 0 CA-C-O 120.793 0.33 . . . . 48.380000000000003 111.165 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 53' ' ' ASN . . . . . . . . . . . . . 48.1 t-20 -150.8 65.12 0.92 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 36.829999999999998 110.913 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -53.49 -29.39 35.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 39.450000000000003 110.848 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.6 -44.21 94.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 31.199999999999999 110.753 179.768 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 77.6 tt0 -62.92 -51.04 68.47 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.232 -0.44 . . . . 28.260000000000002 110.407 179.676 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 57' ' ' ARG . . . . . . . . . . . . . 2.8 ttp180 -64.21 -46.76 82.48 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.873 -0.603 . . . . 28.02 110.394 179.537 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 58' ' ' LEU . . . . . 0.428 HD23 ' HA ' ' C' ' 58' ' ' LEU . 14.7 mt -54.02 -46.6 71.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.815 -0.63 . . . . 30.02 110.571 179.583 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.42 -42.0 61.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 25.02 110.677 179.634 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 27.8 t0 -66.07 -32.18 73.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.923 -0.58 . . . . 25.780000000000001 110.518 179.583 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -68.83 -45.81 70.19 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.085 -0.507 . . . . 26.640000000000001 110.611 179.776 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 62' ' ' GLN . . . . . 0.403 ' HA ' HD12 ' C' ' 65' ' ' LEU . 38.4 mm-40 -63.79 -37.88 89.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.0 -0.546 . . . . 19.030000000000001 110.524 179.657 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 63' ' ' SER . . . . . . . . . . . . . 3.6 m -62.65 -40.36 96.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.021 -0.536 . . . . 16.140000000000001 110.493 179.608 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -59.12 -36.63 75.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 15.390000000000001 110.591 179.702 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 65' ' ' LEU . . . . . 0.405 ' O ' ' HG3' ' C' ' 68' ' ' LYS . 1.2 mt -63.6 -41.49 98.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.079 -0.51 . . . . 17.73 110.765 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 66' ' ' VAL . . . . . . . . . . . . . 38.5 t -74.54 -45.53 45.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 9.7799999999999994 110.739 179.779 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 67' ' ' LYS . . . . . . . . . . . . . 13.4 tttm -58.61 -56.01 27.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.972 -0.558 . . . . 17.109999999999999 110.582 179.752 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 68' ' ' LYS . . . . . 0.405 ' HG3' ' O ' ' C' ' 65' ' ' LEU . 0.0 OUTLIER -55.59 -31.55 62.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 20.039999999999999 110.387 179.683 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' C' C ' 69' ' ' MET . . . . . 0.587 ' HE2' HG21 ' A' ' 73' ' ' THR . 66.5 ttp -69.46 -39.2 77.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.086 -0.506 . . . . 8.8399999999999999 110.631 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 70' ' ' VAL . . . . . 0.402 HG13 ' HG ' ' C' ' 74' ' ' LEU . 74.2 t -74.07 -35.97 43.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.075 -0.511 . . . . 6.5700000000000003 110.933 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 71' ' ' PHE . . . . . 0.422 ' O ' ' CB ' ' C' ' 75' ' ' LYS . 56.0 t80 -56.03 -63.9 1.03 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.395 -0.366 . . . . 17.870000000000001 110.569 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -50.97 -40.33 57.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.352 -0.385 . . . . 11.59 110.623 179.803 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 73' ' ' THR . . . . . 0.506 HG21 ' HE2' ' A' ' 69' ' ' MET . 22.3 m -66.54 -73.32 0.14 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.295 -0.412 . . . . 11.49 110.393 179.652 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 74' ' ' LEU . . . . . 0.624 HD12 ' HB2' ' D' ' 62' ' ' GLN . 16.6 mt -49.51 -36.99 24.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 18.550000000000001 110.977 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 75' ' ' LYS . . . . . 0.422 ' CB ' ' O ' ' C' ' 71' ' ' PHE . 10.4 tttt -57.21 -67.48 0.32 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.228 0.537 . . . . 21.120000000000001 110.055 179.355 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 76' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.16 -26.84 69.0 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.465 -0.789 . . . . 16.219999999999999 110.804 179.677 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 77' ' ' LEU . . . . . 0.608 ' C ' HD12 ' C' ' 77' ' ' LEU . 0.6 OUTLIER -68.39 -59.65 3.02 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.309 -0.405 . . . . 19.289999999999999 110.389 179.938 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' C' C ' 78' ' ' TYR . . . . . 0.79 ' OH ' HG13 ' B' ' 70' ' ' VAL . 20.0 m-85 -60.17 -24.61 64.89 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.887 0.375 . . . . 26.219999999999999 110.369 179.391 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 8.3 tttt -65.91 -35.7 81.35 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.06 -0.518 . . . . 27.300000000000001 110.439 179.595 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.94 -30.25 69.51 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.977 -0.556 . . . . 30.620000000000001 110.942 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.13 -78.33 0.06 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.136 -0.484 . . . . 34.060000000000002 110.819 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 82' ' ' THR . . . . . . . . . . . . . 3.9 p . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.227 -0.892 . . . . 41.68 110.902 179.992 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' D' D ' 52' ' ' ARG . . . . . . . . . . . . . 3.2 mmt-85 . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.837 0.351 . . . . 47.020000000000003 111.229 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' D' D ' 53' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -148.2 173.82 12.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.114 -0.494 . . . . 40.0 110.822 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.0 -17.35 62.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.178 -0.465 . . . . 32.82 111.426 -179.777 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 55' ' ' ALA . . . . . . . . . . . . . . . -49.06 -39.09 26.27 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.853 0.359 . . . . 32.299999999999997 111.213 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -77.37 -48.3 17.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.489 . . . . 30.210000000000001 110.725 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 57' ' ' ARG . . . . . . . . . . . . . 20.2 mmm180 -53.94 -35.7 62.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.284 -0.416 . . . . 22.800000000000001 110.418 179.72 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 58' ' ' LEU . . . . . 0.855 HD22 HG23 ' B' ' 73' ' ' THR . 13.6 mt -65.63 -63.65 1.04 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.885 -0.598 . . . . 18.16 110.73 179.845 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 59' ' ' ALA . . . . . . . . . . . . . . . -46.8 -27.59 1.26 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.841 -0.618 . . . . 18.789999999999999 111.35 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 60' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.73 -61.02 1.99 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.174 -0.466 . . . . 24.890000000000001 110.767 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 61' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -59.94 -24.43 64.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 16.899999999999999 110.707 179.748 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 62' ' ' GLN . . . . . 0.698 ' O ' HG23 ' D' ' 66' ' ' VAL . 2.4 mm-40 -72.64 -43.89 62.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.096 -0.502 . . . . 15.17 110.969 179.819 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 63' ' ' SER . . . . . . . . . . . . . 1.4 m -64.89 -58.79 5.23 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.348 -0.387 . . . . 13.06 110.992 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 64' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -49.33 -33.33 13.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 7.7999999999999998 110.811 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.13 -44.14 85.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.007 -0.542 . . . . 5.8600000000000003 110.841 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 66' ' ' VAL . . . . . 0.698 HG23 ' O ' ' D' ' 62' ' ' GLN . 3.4 t -62.9 -35.12 69.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 5.8499999999999996 111.411 -179.787 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 67' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.68 -54.23 47.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.238 -0.437 . . . . 14.140000000000001 111.047 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 68' ' ' LYS . . . . . . . . . . . . . 14.4 tttt -54.46 -35.78 63.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.349 -0.387 . . . . 19.010000000000002 111.005 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 69' ' ' MET . . . . . 0.45 ' HE1' ' HB3' ' B' ' 62' ' ' GLN . 40.5 ttp -68.73 -50.89 46.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.181 -0.463 . . . . 13.42 110.874 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 70' ' ' VAL . . . . . 0.842 HG13 ' OH ' ' A' ' 78' ' ' TYR . 58.5 t -74.97 -20.38 16.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 15.68 111.464 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 23.2 t80 -66.21 -44.21 84.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.889 0.376 . . . . 25.02 110.649 179.788 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -68.52 -43.47 76.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.097 -0.502 . . . . 29.170000000000002 110.749 179.727 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 73' ' ' THR . . . . . 0.905 HG23 HD22 ' B' ' 58' ' ' LEU . 55.5 m -55.92 -55.89 27.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.102 -0.499 . . . . 22.579999999999998 110.983 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 74' ' ' LEU . . . . . 0.523 ' HA ' HD12 ' D' ' 77' ' ' LEU . 24.4 mt -50.13 -41.01 47.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 21.239999999999998 111.001 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.71 -46.64 63.98 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.303 -0.408 . . . . 26.879999999999999 110.58 179.739 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 76' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.18 -32.16 66.58 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.991 -0.549 . . . . 31.43 110.591 179.628 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 77' ' ' LEU . . . . . 0.553 HD11 ' CD1' ' A' ' 78' ' ' TYR . 20.3 mt -61.46 -53.22 59.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.985 -0.552 . . . . 30.809999999999999 110.705 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 78' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -73.83 -36.53 64.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.066 -0.515 . . . . 32.07 110.774 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.46 -23.66 67.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.057 -0.52 . . . . 39.390000000000001 111.015 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 80' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -69.85 -22.53 63.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.332 -0.394 . . . . 39.439999999999998 111.042 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 81' ' ' THR . . . . . 0.49 HG23 ' O ' ' D' ' 81' ' ' THR . 8.5 t -157.42 68.45 0.53 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.311 -0.404 . . . . 40.18 110.818 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 82' ' ' THR . . . . . . . . . . . . . 1.6 t . . . . . 0 C--O 1.247 0.973 0 CA-C-O 118.335 -0.84 . . . . 46.090000000000003 110.839 179.944 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.804 0.335 . . . . 47.270000000000003 111.209 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -160.46 59.58 0.33 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 36.850000000000001 110.842 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -47.54 -31.83 4.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.05 -0.523 . . . . 37.460000000000001 111.161 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.07 -41.4 92.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.364 -0.38 . . . . 30.609999999999999 111.093 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -66.12 -53.21 40.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.361 -0.381 . . . . 27.620000000000001 110.657 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 72.0 mtt-85 -62.46 -45.72 91.78 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.069 -0.514 . . . . 26.59 110.47 179.606 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.45 HD23 ' HA ' ' A' ' 58' ' ' LEU . 13.0 mt -53.75 -49.14 68.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.721 -0.672 . . . . 27.93 110.755 179.681 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -52.23 -40.83 62.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.171 -0.468 . . . . 24.32 110.775 179.714 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -71.4 -27.71 63.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.073 -0.512 . . . . 26.629999999999999 110.54 179.638 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -76.03 -51.47 12.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.034 -0.53 . . . . 27.309999999999999 110.673 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.443 ' HB2' HD13 ' B' ' 74' ' ' LEU . 63.0 mm-40 -55.08 -46.38 75.44 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.879 -0.6 . . . . 19.390000000000001 110.7 179.812 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 20.2 p -61.96 -42.4 99.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.217 -0.447 . . . . 15.76 110.507 179.649 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -52.69 -36.26 56.86 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.121 -0.491 . . . . 16.800000000000001 110.361 179.549 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.6 mt -67.71 -41.55 83.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.996 -0.547 . . . . 16.280000000000001 110.421 179.539 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 44.7 t -67.15 -41.51 87.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.058 -0.519 . . . . 9.7400000000000002 110.707 179.511 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -63.7 -45.85 88.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.022 -0.536 . . . . 18.559999999999999 110.549 179.737 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 31.2 ttpt -58.98 -35.7 73.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.104 -0.498 . . . . 21.379999999999999 110.487 179.702 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 30.9 ttp -67.41 -39.54 85.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.001 -0.545 . . . . 8.2400000000000002 110.632 179.665 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.462 HG21 HG21 ' B' ' 66' ' ' VAL . 94.8 t -71.37 -42.59 73.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.054 -0.521 . . . . 5.3899999999999997 110.949 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.482 ' CZ ' ' HD3' ' A' ' 75' ' ' LYS . 59.2 t80 -51.55 -62.98 1.29 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.833 0.349 . . . . 15.43 110.459 179.801 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -51.23 -43.27 61.42 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.232 -0.44 . . . . 8.2699999999999996 110.631 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 20.6 m -66.67 -71.15 0.21 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.471 . . . . 12.779999999999999 110.414 179.668 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.485 ' HB3' ' CE2' ' A' ' 78' ' ' TYR . 15.6 mt -48.32 -36.09 13.62 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.13 -0.486 . . . . 18.960000000000001 110.971 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.482 ' HD3' ' CZ ' ' A' ' 71' ' ' PHE . 0.1 OUTLIER -56.81 -66.37 0.46 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 22.640000000000001 110.185 179.555 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -64.89 -28.4 69.51 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.712 -0.676 . . . . 15.5 110.932 179.742 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.612 ' O ' HD12 ' A' ' 77' ' ' LEU . 0.9 OUTLIER -66.86 -57.7 6.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.281 -0.418 . . . . 19.41 110.548 179.925 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.485 ' CE2' ' HB3' ' A' ' 74' ' ' LEU . 22.1 m-85 -61.54 -25.53 67.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.451 . . . . 25.940000000000001 110.65 179.831 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 11.7 mmtt -71.12 -30.01 65.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 27.170000000000002 110.702 179.776 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.14 -36.34 72.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.13 -0.486 . . . . 29.989999999999998 110.988 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -56.88 -78.1 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 33.82 110.876 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.411 HG23 HD22 ' D' ' 77' ' ' LEU . 5.7 p . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.236 -0.888 . . . . 40.439999999999998 110.863 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 32.4 mtt180 . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.773 0.32 . . . . 42.380000000000003 111.254 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -139.41 23.84 2.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 40.200000000000003 110.931 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.73 -28.14 69.39 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.317 -0.401 . . . . 33.530000000000001 110.76 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.97 -40.09 72.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.081 -0.509 . . . . 32.990000000000002 111.071 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 56' ' ' GLU . . . . . 0.403 ' HG2' ' HD2' ' A' ' 75' ' ' LYS . 1.7 mt-10 -68.71 -42.61 77.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 30.899999999999999 110.784 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 11.1 mtm180 -62.94 -33.98 76.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 23.120000000000001 110.753 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 58' ' ' LEU . . . . . 0.926 HD13 ' CG2' ' D' ' 73' ' ' THR . 91.9 mt -71.23 -51.38 24.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.098 -0.501 . . . . 18.289999999999999 110.734 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 59' ' ' ALA . . . . . 0.414 ' HB2' ' HA ' ' A' ' 75' ' ' LYS . . . -51.0 -31.75 19.07 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.975 -0.557 . . . . 18.879999999999999 111.096 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 60' ' ' ASP . . . . . 0.497 ' HA ' ' HG ' ' B' ' 63' ' ' SER . 63.0 t0 -81.41 -51.71 8.03 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.189 -0.459 . . . . 22.870000000000001 110.927 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -59.05 -41.57 88.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.19 -0.459 . . . . 16.489999999999998 110.789 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 62' ' ' GLN . . . . . 0.447 ' HB3' ' CD1' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -73.34 -42.05 62.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 15.220000000000001 111.131 -179.933 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 63' ' ' SER . . . . . 0.497 ' HG ' ' HA ' ' B' ' 60' ' ' ASP . 96.6 p -65.66 -55.76 15.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.414 -0.357 . . . . 12.94 110.953 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -50.21 -37.12 33.72 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.263 -0.426 . . . . 9.4700000000000006 110.696 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.97 -44.5 94.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.065 -0.516 . . . . 5.5 110.559 179.673 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 66' ' ' VAL . . . . . 0.462 HG21 HG21 ' A' ' 70' ' ' VAL . 56.1 t -56.06 -32.67 34.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.276 -0.42 . . . . 6.5700000000000003 110.782 179.647 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.81 -54.29 44.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.074 -0.512 . . . . 16.920000000000002 110.823 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 6.3 tttt -57.99 -34.54 70.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.343 -0.389 . . . . 18.66 110.651 179.763 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 69' ' ' MET . . . . . . . . . . . . . 25.0 ttp -70.46 -49.93 43.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.002 -0.544 . . . . 12.94 110.763 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.417 HG13 ' OH ' ' C' ' 78' ' ' TYR . 98.4 t -74.37 -22.74 17.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 15.380000000000001 110.9 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -64.52 -41.76 96.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.361 -0.382 . . . . 25.129999999999999 110.589 179.754 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -69.81 -43.13 72.69 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.193 -0.458 . . . . 27.829999999999998 110.646 179.722 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 73' ' ' THR . . . . . 0.909 ' CG2' HD13 ' D' ' 58' ' ' LEU . 90.9 m -54.76 -56.39 19.76 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.144 -0.48 . . . . 21.129999999999999 110.815 179.764 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 74' ' ' LEU . . . . . 0.607 ' HA ' HD12 ' B' ' 77' ' ' LEU . 10.0 mt -54.27 -41.03 68.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.291 -0.413 . . . . 21.16 110.696 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.72 -41.05 55.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 27.739999999999998 110.656 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.19 -26.11 39.37 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.987 -0.552 . . . . 30.550000000000001 110.707 179.808 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.607 HD12 ' HA ' ' B' ' 74' ' ' LEU . 27.9 mt -68.33 -36.2 78.93 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.067 -0.515 . . . . 30.300000000000001 110.936 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -81.72 -61.59 1.88 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 32.57 110.971 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.48 -29.28 6.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 39.43 111.107 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.55 -71.86 0.06 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.329 -0.396 . . . . 40.789999999999999 111.011 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 81' ' ' THR . . . . . 0.493 HG23 ' O ' ' B' ' 81' ' ' THR . 10.3 t -79.04 64.14 3.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 41.210000000000001 111.016 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 9.0 t . . . . . 0 C--O 1.248 0.987 0 CA-C-O 118.249 -0.882 . . . . 48.390000000000001 110.947 179.973 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.88 0.371 . . . . 46.020000000000003 111.138 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -160.33 59.54 0.34 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.494 . . . . 41.630000000000003 110.816 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 54' ' ' ASP . . . . . 0.404 ' O ' ' HG ' ' C' ' 58' ' ' LEU . 3.5 p30 -47.56 -31.75 4.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.124 -0.489 . . . . 39.329999999999998 111.138 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.08 -41.43 92.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.41 -0.359 . . . . 35.299999999999997 111.134 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -65.9 -53.37 40.37 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.981 0.42 . . . . 30.43 110.658 179.784 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 57' ' ' ARG . . . . . . . . . . . . . 72.1 mtt-85 -62.37 -45.75 91.75 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.032 -0.531 . . . . 37.32 110.411 179.697 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 58' ' ' LEU . . . . . 0.461 ' HA ' HD23 ' C' ' 58' ' ' LEU . 13.1 mt -53.78 -49.04 69.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.841 -0.618 . . . . 28.030000000000001 110.72 179.771 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -52.39 -40.53 62.19 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.123 -0.49 . . . . 20.41 110.833 179.751 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -71.68 -27.79 63.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.494 . . . . 18.370000000000001 110.456 179.718 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -75.88 -51.58 12.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.03 -0.532 . . . . 20.649999999999999 110.68 179.808 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 62' ' ' GLN . . . . . 0.52 ' HB2' HD13 ' D' ' 74' ' ' LEU . 63.1 mm-40 -54.99 -46.44 75.15 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.924 -0.58 . . . . 23.809999999999999 110.61 179.809 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 63' ' ' SER . . . . . . . . . . . . . 19.6 p -61.91 -42.25 98.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.425 . . . . 17.940000000000001 110.453 179.685 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -52.94 -36.13 59.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 26.039999999999999 110.338 179.588 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 65' ' ' LEU . . . . . . . . . . . . . 3.6 mt -68.0 -41.28 82.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.027 -0.533 . . . . 18.510000000000002 110.4 179.616 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 66' ' ' VAL . . . . . . . . . . . . . 44.9 t -67.43 -41.38 86.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.109 -0.496 . . . . 14.82 110.608 179.549 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 67' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -63.7 -46.0 87.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.983 -0.553 . . . . 8.8200000000000003 110.497 179.668 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 68' ' ' LYS . . . . . . . . . . . . . 31.1 ttpt -58.79 -35.79 73.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 13.16 110.385 179.693 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 69' ' ' MET . . . . . . . . . . . . . 30.6 ttp -67.47 -39.5 85.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.035 -0.529 . . . . 8.0999999999999996 110.624 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 70' ' ' VAL . . . . . 0.477 HG21 HG21 ' D' ' 66' ' ' VAL . 93.0 t -71.46 -42.3 72.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.065 -0.516 . . . . 9.4499999999999993 110.98 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 71' ' ' PHE . . . . . 0.477 ' CZ ' ' HD3' ' C' ' 75' ' ' LYS . 59.4 t80 -51.81 -62.78 1.42 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.459 -0.337 . . . . 15.220000000000001 110.512 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -51.27 -43.23 61.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.279 -0.419 . . . . 13.109999999999999 110.641 179.786 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 73' ' ' THR . . . . . . . . . . . . . 20.7 m -66.75 -71.2 0.21 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 10.65 110.389 179.691 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 74' ' ' LEU . . . . . 0.487 ' HB3' ' CE2' ' C' ' 78' ' ' TYR . 15.6 mt -48.16 -36.16 13.02 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.076 -0.511 . . . . 13.050000000000001 111.04 179.822 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 75' ' ' LYS . . . . . 0.477 ' HD3' ' CZ ' ' C' ' 71' ' ' PHE . 0.1 OUTLIER -56.76 -66.32 0.46 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.185 -0.462 . . . . 14.449999999999999 110.2 179.507 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' C' C ' 76' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -65.0 -28.49 69.54 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.686 -0.688 . . . . 17.710000000000001 110.855 179.771 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 77' ' ' LEU . . . . . 0.615 ' O ' HD12 ' C' ' 77' ' ' LEU . 0.9 OUTLIER -66.77 -57.64 6.67 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.344 -0.389 . . . . 21.190000000000001 110.551 179.916 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' C' C ' 78' ' ' TYR . . . . . 0.487 ' CE2' ' HB3' ' C' ' 74' ' ' LEU . 22.2 m-85 -61.63 -25.54 67.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 25.870000000000001 110.68 179.83 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 11.7 mmtt -71.19 -29.85 65.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 25.870000000000001 110.617 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.25 -36.26 71.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 28.600000000000001 111.031 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -56.96 -78.1 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 33.520000000000003 110.789 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 82' ' ' THR . . . . . 0.408 ' H ' HG23 ' C' ' 82' ' ' THR . 5.5 p . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.271 -0.871 . . . . 37.710000000000001 110.913 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 52' ' ' ARG . . . . . . . . . . . . . 31.8 mtt180 . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.863 0.363 . . . . 43.350000000000001 111.232 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' D' D ' 53' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -139.12 23.84 2.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 38.219999999999999 110.867 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.76 -28.02 69.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.295 -0.411 . . . . 33.119999999999997 110.803 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.08 -39.94 72.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.485 . . . . 29.829999999999998 111.089 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -68.9 -42.55 76.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.102 -0.499 . . . . 33.850000000000001 110.824 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 57' ' ' ARG . . . . . . . . . . . . . 11.0 mtm180 -62.91 -34.19 76.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.071 -0.513 . . . . 25.640000000000001 110.746 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 58' ' ' LEU . . . . . 0.909 HD13 ' CG2' ' B' ' 73' ' ' THR . 91.6 mt -70.93 -51.9 23.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.495 . . . . 22.379999999999999 110.749 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 59' ' ' ALA . . . . . . . . . . . . . . . -50.72 -31.57 16.97 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.836 -0.62 . . . . 20.379999999999999 111.119 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 60' ' ' ASP . . . . . 0.484 ' HA ' ' HG ' ' D' ' 63' ' ' SER . 63.2 t0 -81.46 -51.73 7.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.322 -0.399 . . . . 18.690000000000001 110.894 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 61' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -59.14 -41.54 88.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 12.16 110.828 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 62' ' ' GLN . . . . . 0.462 ' HB3' ' CD1' ' C' ' 74' ' ' LEU . 0.0 OUTLIER -73.25 -42.13 62.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.451 . . . . 10.779999999999999 111.156 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' D' D ' 63' ' ' SER . . . . . 0.484 ' HG ' ' HA ' ' D' ' 60' ' ' ASP . 96.0 p -65.62 -55.68 16.3 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.427 -0.352 . . . . 16.629999999999999 110.926 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 64' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -50.43 -36.82 34.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.307 -0.406 . . . . 18.41 110.768 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 65' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.16 -44.35 95.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.023 -0.535 . . . . 9.8000000000000007 110.511 179.673 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 66' ' ' VAL . . . . . 0.477 HG21 HG21 ' C' ' 70' ' ' VAL . 56.7 t -56.3 -32.43 35.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 8.5 110.769 179.716 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.04 -54.38 42.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.092 -0.504 . . . . 11.199999999999999 110.762 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 68' ' ' LYS . . . . . . . . . . . . . 6.3 tttt -57.84 -34.53 69.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.293 -0.412 . . . . 10.19 110.589 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 69' ' ' MET . . . . . . . . . . . . . 25.3 ttp -70.55 -49.97 42.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.037 -0.529 . . . . 11.029999999999999 110.772 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 70' ' ' VAL . . . . . 0.465 HG13 ' OH ' ' A' ' 78' ' ' TYR . 96.5 t -74.28 -22.73 18.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 10.66 110.983 179.813 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 87.5 t80 -64.5 -41.99 96.11 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.334 -0.394 . . . . 17.949999999999999 110.604 179.757 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -69.75 -42.97 73.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.025 -0.534 . . . . 23.379999999999999 110.595 179.739 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 73' ' ' THR . . . . . 0.926 ' CG2' HD13 ' B' ' 58' ' ' LEU . 89.6 m -54.76 -56.55 18.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 24.16 110.865 179.752 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 74' ' ' LEU . . . . . 0.602 ' HA ' HD12 ' D' ' 77' ' ' LEU . 9.9 mt -54.22 -40.85 68.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 27.190000000000001 110.755 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.94 -40.72 58.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 28.199999999999999 110.637 179.84 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 76' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.45 -25.98 38.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.022 -0.536 . . . . 28.149999999999999 110.726 179.69 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 77' ' ' LEU . . . . . 0.602 HD12 ' HA ' ' D' ' 74' ' ' LEU . 28.0 mt -68.56 -36.03 78.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.084 -0.507 . . . . 28.370000000000001 110.982 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 78' ' ' TYR . . . . . 0.415 ' OH ' HD13 ' C' ' 58' ' ' LEU . 20.1 m-85 -81.96 -61.42 1.92 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 34.030000000000001 110.987 -179.832 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.52 -29.39 6.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.467 . . . . 42.460000000000001 111.147 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.54 -71.86 0.06 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.256 -0.429 . . . . 42.579999999999998 110.939 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 81' ' ' THR . . . . . 0.502 HG23 ' O ' ' D' ' 81' ' ' THR . 10.2 t -79.04 64.23 3.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.436 . . . . 41.82 111.098 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 82' ' ' THR . . . . . . . . . . . . . 9.0 t . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.277 -0.868 . . . . 50.350000000000001 110.881 -179.961 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 49.3 mtt180 . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.851 0.358 . . . . 47.149999999999999 111.203 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -116.14 84.46 2.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.246 -0.434 . . . . 36.710000000000001 110.834 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.407 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 10.5 p-10 -69.41 -40.52 77.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 38.5 110.975 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -53.82 -31.15 48.2 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.412 -0.358 . . . . 31.079999999999998 110.915 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -78.52 -50.79 10.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.467 . . . . 27.920000000000002 110.579 179.673 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.18 -45.05 94.42 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.901 -0.591 . . . . 28.57 110.464 179.628 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.435 ' HB3' ' CE2' ' B' ' 78' ' ' TYR . 27.9 mt -55.59 -53.28 58.4 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.731 -0.668 . . . . 30.859999999999999 110.721 179.769 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -49.76 -34.64 19.74 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.171 -0.468 . . . . 23.98 110.967 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -76.66 -29.03 56.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.093 -0.503 . . . . 24.609999999999999 110.676 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -74.36 -59.65 2.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.021 -0.536 . . . . 25.399999999999999 110.744 179.749 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.481 ' HB2' HD13 ' B' ' 74' ' ' LEU . 42.3 mm-40 -51.0 -45.62 61.22 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.99 -0.55 . . . . 18.129999999999999 110.786 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 26.0 p -60.71 -43.56 97.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.197 -0.456 . . . . 15.960000000000001 110.808 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.424 ' HA ' ' HG2' ' A' ' 67' ' ' LYS . 0.6 OUTLIER -57.27 -36.59 71.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.434 . . . . 17.010000000000002 110.714 179.88 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.437 HD12 ' HA ' ' A' ' 62' ' ' GLN . 23.6 mt -65.13 -36.63 84.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.429 . . . . 18.670000000000002 110.431 179.578 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 58.3 t -70.45 -42.65 78.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.006 -0.543 . . . . 10.050000000000001 110.934 179.782 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.432 ' HG3' ' N ' ' A' ' 68' ' ' LYS . 0.0 OUTLIER -63.99 -28.8 70.06 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.17 -0.468 . . . . 13.949999999999999 110.762 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.432 ' N ' ' HG3' ' A' ' 67' ' ' LYS . 0.0 OUTLIER -73.85 -42.88 60.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 22.440000000000001 110.292 179.506 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 46.9 ttp -64.75 -46.16 83.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.001 -0.545 . . . . 9.3699999999999992 110.121 179.353 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -66.98 -42.93 89.34 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 CA-C-N 116.072 -0.513 . . . . 7.3799999999999999 110.389 179.524 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.406 ' O ' ' HB2' ' A' ' 75' ' ' LYS . 61.4 t80 -47.41 -64.74 0.7 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.892 -0.595 . . . . 19.239999999999998 110.596 179.791 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 76.8 m-20 -51.14 -42.29 60.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.318 -0.401 . . . . 13.449999999999999 110.506 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 20.4 m -61.05 -66.5 0.52 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 9.9800000000000004 110.016 179.326 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.776 HD12 ' HB2' ' B' ' 62' ' ' GLN . 12.0 mt -54.32 -33.27 58.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.037 -0.529 . . . . 17.550000000000001 110.63 179.529 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.406 ' HB2' ' O ' ' A' ' 71' ' ' PHE . 0.5 OUTLIER -57.97 -61.11 2.78 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.923 -0.58 . . . . 20.18 110.302 179.672 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.88 -31.87 68.68 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.03 -0.532 . . . . 17.399999999999999 110.677 179.586 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.545 ' O ' HD12 ' A' ' 77' ' ' LEU . 3.3 tp -65.31 -46.13 81.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.035 -0.53 . . . . 19.760000000000002 110.536 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.431 ' OH ' HG13 ' D' ' 70' ' ' VAL . 21.4 m-30 -71.99 -24.65 61.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 26.809999999999999 110.629 179.479 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -74.79 -28.31 60.68 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.168 -0.469 . . . . 27.120000000000001 110.594 179.673 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 2.9 tptp -67.98 -35.67 78.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.061 -0.518 . . . . 31.23 110.911 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.786 ' O ' HG21 ' D' ' 81' ' ' THR . 9.1 p -65.82 -41.38 91.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 34.630000000000003 110.847 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 31.5 p . . . . . 0 C--O 1.249 1.079 0 CA-C-O 118.262 -0.875 . . . . 39.469999999999999 110.956 179.975 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 12.6 mtp180 . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.763 0.316 . . . . 40.899999999999999 111.249 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -112.19 22.58 14.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 40.020000000000003 111.031 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -62.83 -25.69 68.38 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.37 -0.377 . . . . 32.920000000000002 110.809 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -54.71 -40.28 69.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 31.140000000000001 111.086 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -68.55 -42.94 77.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 32.280000000000001 110.71 179.797 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 49.9 mtt180 -61.21 -37.33 82.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 22.98 110.655 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 58' ' ' LEU . . . . . 0.825 HD22 HG23 ' D' ' 73' ' ' THR . 16.6 mt -64.57 -61.35 2.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.03 -0.532 . . . . 18.84 110.705 179.789 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -45.4 -29.44 1.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.918 -0.583 . . . . 19.219999999999999 110.995 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -73.6 -39.01 64.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.989 -0.551 . . . . 25.420000000000002 110.395 179.633 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 61' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' B' ' 58' ' ' LEU . 31.5 mm-40 -70.6 -35.8 73.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 17.530000000000001 110.566 179.645 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 62' ' ' GLN . . . . . 0.918 ' O ' HG23 ' B' ' 66' ' ' VAL . 12.7 mm-40 -69.32 -38.57 78.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.027 -0.533 . . . . 13.949999999999999 110.554 179.736 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 63' ' ' SER . . . . . 0.409 ' HB2' ' HB2' ' A' ' 67' ' ' LYS . 0.1 OUTLIER -61.74 -62.09 2.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.086 -0.507 . . . . 13.06 110.68 179.881 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -49.7 -35.31 21.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 8.3499999999999996 110.694 179.742 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.07 -48.59 65.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.995 -0.548 . . . . 6.3399999999999999 110.549 179.74 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 66' ' ' VAL . . . . . 0.918 HG23 ' O ' ' B' ' 62' ' ' GLN . 21.9 t -64.13 -32.47 57.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.081 -0.509 . . . . 5.29 110.938 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 4.5 tttt -59.53 -59.9 4.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.069 -0.514 . . . . 11.1 110.871 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 1.2 tttp -54.02 -30.48 47.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.353 -0.385 . . . . 18.379999999999999 110.646 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 69' ' ' MET . . . . . 0.756 ' HE2' HG13 ' B' ' 66' ' ' VAL . 58.2 ttp -69.05 -52.04 32.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 12.92 110.639 179.799 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.486 HG13 ' OH ' ' C' ' 78' ' ' TYR . 62.9 t -75.73 -23.18 16.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.151 -0.477 . . . . 15.029999999999999 111.018 179.756 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -62.8 -44.79 95.22 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.181 -0.463 . . . . 23.870000000000001 110.51 179.726 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -67.91 -46.9 70.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.095 -0.502 . . . . 27.5 110.618 179.694 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 73' ' ' THR . . . . . 0.82 HG23 HD22 ' D' ' 58' ' ' LEU . 99.1 m -53.65 -47.93 69.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 23.27 110.672 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 74' ' ' LEU . . . . . 0.481 HD13 ' HB2' ' A' ' 62' ' ' GLN . 20.9 mt -62.43 -38.0 88.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.095 -0.502 . . . . 21.440000000000001 110.633 179.827 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -50.7 -42.37 56.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 25.66 110.688 179.779 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -78.93 -28.2 43.75 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.978 -0.555 . . . . 30.170000000000002 110.629 179.734 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.469 HD12 ' HA ' ' B' ' 74' ' ' LEU . 38.5 mt -66.53 -46.48 76.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.029 -0.532 . . . . 29.969999999999999 110.819 179.787 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 78' ' ' TYR . . . . . 0.435 ' CE2' ' HB3' ' A' ' 58' ' ' LEU . 13.6 m-85 -78.29 -25.58 46.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.111 -0.495 . . . . 31.170000000000002 110.937 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -49.89 -51.41 40.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 40.469999999999999 110.858 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 30.3 tptt -66.48 -62.94 1.2 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.117 -0.492 . . . . 39.369999999999997 110.745 179.777 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 81' ' ' THR . . . . . 0.722 HG21 ' O ' ' C' ' 81' ' ' THR . 3.0 t -82.66 68.27 9.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 37.899999999999999 110.952 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.232 -0.889 . . . . 44.549999999999997 110.967 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 52' ' ' ARG . . . . . . . . . . . . . 49.4 mtt180 . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 120.763 0.316 . . . . 44.490000000000002 111.179 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 53' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -116.1 84.58 2.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.238 -0.437 . . . . 40.060000000000002 110.843 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 54' ' ' ASP . . . . . 0.402 ' O ' ' HG ' ' C' ' 58' ' ' LEU . 10.5 p-10 -69.46 -40.44 77.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.133 -0.485 . . . . 37.039999999999999 111.01 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . -53.95 -31.13 49.43 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.399 -0.364 . . . . 33.729999999999997 110.891 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -78.51 -51.01 10.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 29.309999999999999 110.46 179.722 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.99 -44.96 94.18 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.964 -0.562 . . . . 36.740000000000002 110.458 179.688 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 58' ' ' LEU . . . . . 0.492 ' HB3' ' CE2' ' D' ' 78' ' ' TYR . 27.3 mt -55.69 -53.16 59.97 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.785 -0.643 . . . . 24.370000000000001 110.812 179.768 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -49.91 -34.66 21.05 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.121 -0.49 . . . . 20.030000000000001 111.025 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -76.49 -28.98 56.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.054 -0.521 . . . . 21.210000000000001 110.641 179.795 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -74.43 -59.77 2.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.085 -0.507 . . . . 23.280000000000001 110.721 179.802 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 62' ' ' GLN . . . . . 0.525 ' HB2' HD13 ' D' ' 74' ' ' LEU . 42.2 mm-40 -50.87 -45.45 59.93 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.95 -0.568 . . . . 25.0 110.852 179.775 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 63' ' ' SER . . . . . . . . . . . . . 26.1 p -60.81 -43.73 97.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 16.52 110.763 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 64' ' ' GLU . . . . . 0.424 ' HA ' ' HG2' ' C' ' 67' ' ' LYS . 0.6 OUTLIER -57.19 -36.58 71.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 24.449999999999999 110.653 179.919 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' C' C ' 65' ' ' LEU . . . . . 0.445 HD12 ' HA ' ' C' ' 62' ' ' GLN . 23.9 mt -65.27 -36.36 83.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.274 -0.421 . . . . 16.059999999999999 110.48 179.658 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 66' ' ' VAL . . . . . . . . . . . . . 57.5 t -70.7 -42.64 77.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.96 -0.564 . . . . 14.23 110.931 179.743 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 67' ' ' LYS . . . . . 0.434 ' HG3' ' N ' ' C' ' 68' ' ' LYS . 0.0 OUTLIER -63.81 -29.18 70.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.458 . . . . 14.890000000000001 110.749 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' C' C ' 68' ' ' LYS . . . . . 0.434 ' N ' ' HG3' ' C' ' 67' ' ' LYS . 0.0 OUTLIER -73.6 -42.96 60.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.495 . . . . 12.300000000000001 110.305 179.588 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' C' C ' 69' ' ' MET . . . . . . . . . . . . . 46.9 ttp -64.57 -46.31 83.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.027 -0.533 . . . . 7.6299999999999999 110.138 179.304 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -66.85 -43.13 89.81 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.28 0 CA-C-N 116.024 -0.534 . . . . 8.0299999999999994 110.401 179.468 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 71' ' ' PHE . . . . . 0.431 ' CE1' ' OD1' ' D' ' 60' ' ' ASP . 60.8 t80 -47.33 -64.75 0.7 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.954 -0.567 . . . . 8.5600000000000005 110.637 179.758 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -51.08 -42.37 60.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.398 -0.365 . . . . 11.33 110.561 179.738 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 73' ' ' THR . . . . . . . . . . . . . 20.5 m -60.89 -66.67 0.5 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.21 -0.45 . . . . 13.25 110.032 179.307 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 74' ' ' LEU . . . . . 0.789 HD12 ' HB2' ' D' ' 62' ' ' GLN . 12.2 mt -54.04 -33.42 57.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.983 -0.553 . . . . 14.77 110.647 179.456 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 75' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -57.85 -61.22 2.69 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.908 -0.587 . . . . 13.15 110.265 179.771 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 76' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.83 -31.82 68.66 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.952 -0.567 . . . . 16.27 110.719 179.573 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 77' ' ' LEU . . . . . 0.548 ' O ' HD12 ' C' ' 77' ' ' LEU . 3.3 tp -65.32 -46.28 80.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.038 -0.528 . . . . 21.170000000000002 110.524 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 78' ' ' TYR . . . . . 0.486 ' OH ' HG13 ' B' ' 70' ' ' VAL . 21.3 m-30 -71.88 -24.85 61.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 23.48 110.556 179.597 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -74.6 -28.37 60.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 30.719999999999999 110.587 179.669 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 2.9 tptp -67.99 -35.54 78.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.15 -0.477 . . . . 26.960000000000001 110.924 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 81' ' ' THR . . . . . 0.722 ' O ' HG21 ' B' ' 81' ' ' THR . 9.0 p -65.9 -41.2 91.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 32.649999999999999 110.858 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 82' ' ' THR . . . . . . . . . . . . . 31.8 p . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.258 -0.877 . . . . 35.859999999999999 110.948 -179.973 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' D' D ' 52' ' ' ARG . . . . . . . . . . . . . 12.6 mtp180 . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 120.875 0.369 . . . . 45.380000000000003 111.179 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' D' D ' 53' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -112.28 22.59 14.57 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.194 -0.457 . . . . 40.490000000000002 110.973 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -62.81 -25.64 68.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.903 0.382 . . . . 34.979999999999997 110.828 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 55' ' ' ALA . . . . . . . . . . . . . . . -54.59 -40.34 68.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.062 -0.517 . . . . 31.719999999999999 111.122 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -68.67 -42.71 77.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 32.789999999999999 110.724 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 57' ' ' ARG . . . . . . . . . . . . . 49.8 mtt180 -61.43 -37.22 82.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 32.270000000000003 110.631 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 58' ' ' LEU . . . . . 0.82 HD22 HG23 ' B' ' 73' ' ' THR . 16.5 mt -64.58 -61.47 2.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.054 -0.521 . . . . 22.460000000000001 110.657 179.781 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 59' ' ' ALA . . . . . . . . . . . . . . . -45.18 -29.46 0.95 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.867 -0.606 . . . . 18.920000000000002 111.072 179.765 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 60' ' ' ASP . . . . . 0.431 ' OD1' ' CE1' ' C' ' 71' ' ' PHE . 0.3 OUTLIER -73.45 -39.45 64.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.939 -0.573 . . . . 19.170000000000002 110.397 179.547 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' D' D ' 61' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' D' ' 58' ' ' LEU . 32.0 mm-40 -70.4 -35.63 73.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.064 -0.516 . . . . 11.91 110.527 179.651 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 62' ' ' GLN . . . . . 0.899 ' O ' HG23 ' D' ' 66' ' ' VAL . 12.6 mm-40 -69.25 -38.58 78.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 11.630000000000001 110.595 179.735 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 63' ' ' SER . . . . . 0.403 ' HB2' ' HB2' ' C' ' 67' ' ' LYS . 0.1 OUTLIER -61.81 -62.2 1.97 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.027 -0.533 . . . . 16.75 110.737 179.873 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' D' D ' 64' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -49.67 -35.19 20.67 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.166 -0.47 . . . . 18.350000000000001 110.706 179.742 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.22 -48.52 64.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.035 -0.53 . . . . 9.8300000000000001 110.567 179.703 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 66' ' ' VAL . . . . . 0.899 HG23 ' O ' ' D' ' 62' ' ' GLN . 22.0 t -64.11 -32.54 57.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 8.4499999999999993 111.002 179.785 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 67' ' ' LYS . . . . . . . . . . . . . 4.5 tttt -59.5 -59.79 4.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 17.829999999999998 110.877 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 68' ' ' LYS . . . . . . . . . . . . . 1.2 tttp -54.05 -30.4 47.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.36 -0.382 . . . . 10.41 110.658 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 69' ' ' MET . . . . . 0.729 ' HE2' HG13 ' D' ' 66' ' ' VAL . 58.2 ttp -68.97 -52.2 31.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 11.050000000000001 110.564 179.79 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 70' ' ' VAL . . . . . 0.431 HG13 ' OH ' ' A' ' 78' ' ' TYR . 59.5 t -75.63 -23.24 16.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.085 -0.507 . . . . 11.69 111.058 179.83 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -62.74 -44.7 95.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.223 -0.444 . . . . 18.550000000000001 110.545 179.731 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -68.02 -47.06 69.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.083 -0.508 . . . . 23.899999999999999 110.577 179.719 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 73' ' ' THR . . . . . 0.825 HG23 HD22 ' B' ' 58' ' ' LEU . 99.9 m -53.54 -47.86 69.6 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.152 -0.476 . . . . 21.780000000000001 110.775 179.806 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 74' ' ' LEU . . . . . 0.525 HD13 ' HB2' ' C' ' 62' ' ' GLN . 20.7 mt -62.44 -37.99 88.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 26.699999999999999 110.674 179.741 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 75' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -50.79 -42.32 57.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 29.800000000000001 110.688 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 76' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -78.77 -28.44 44.77 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.005 -0.543 . . . . 29.34 110.604 179.645 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 77' ' ' LEU . . . . . 0.47 HD12 ' HA ' ' D' ' 74' ' ' LEU . 38.4 mt -66.38 -46.5 76.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.941 -0.572 . . . . 28.379999999999999 110.817 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 78' ' ' TYR . . . . . 0.492 ' CE2' ' HB3' ' C' ' 58' ' ' LEU . 13.4 m-85 -78.25 -25.7 46.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.114 -0.494 . . . . 34.310000000000002 110.8 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 79' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -49.78 -51.54 38.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 40.149999999999999 110.833 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 80' ' ' LYS . . . . . . . . . . . . . 30.3 tptt -66.37 -62.97 1.18 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.089 -0.505 . . . . 43.530000000000001 110.787 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 81' ' ' THR . . . . . 0.786 HG21 ' O ' ' A' ' 81' ' ' THR . 3.0 t -82.62 68.24 9.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 39.469999999999999 110.923 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 82' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.219 -0.896 . . . . 47.82 110.962 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 5.0 mtt180 . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.846 0.355 . . . . 46.460000000000001 111.187 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -139.21 79.47 1.73 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 35.369999999999997 111.034 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -60.3 -30.59 69.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 36.850000000000001 110.871 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.88 -37.21 86.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.291 -0.413 . . . . 30.25 110.672 179.645 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -63.45 -56.49 15.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.992 -0.549 . . . . 26.390000000000001 110.427 179.662 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -65.16 -48.06 74.86 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.884 -0.598 . . . . 26.120000000000001 110.298 179.446 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.632 ' C ' HD13 ' A' ' 58' ' ' LEU . 1.7 tm? -53.59 -49.11 68.47 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.758 -0.656 . . . . 26.920000000000002 110.591 179.466 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.433 ' N ' HD13 ' A' ' 58' ' ' LEU . . . -55.52 -34.14 64.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.038 -0.528 . . . . 24.780000000000001 110.994 179.722 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -60.38 -45.31 93.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 26.02 110.715 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.45 -53.47 50.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 27.359999999999999 110.83 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 8.8 mp0 -54.01 -45.48 71.51 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.949 -0.568 . . . . 20.59 110.851 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 49.2 m -59.14 -38.13 78.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 16.32 110.778 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -60.18 -35.49 75.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 18.73 110.869 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 7.9 mt -67.7 -39.49 84.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 15.81 110.78 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 26.1 t -73.21 -44.68 55.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.074 -0.512 . . . . 10.300000000000001 111.319 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 71.4 tttt -60.65 -50.5 73.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.349 -0.387 . . . . 19.289999999999999 110.68 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 22.9 mtmt -55.9 -32.66 63.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 20.739999999999998 110.368 179.521 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 61.0 ttp -67.19 -41.95 85.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.945 -0.57 . . . . 7.7199999999999998 110.712 179.712 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.434 HG21 HG21 ' B' ' 66' ' ' VAL . 79.4 t -71.53 -44.35 70.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 4.3099999999999996 111.064 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.427 ' O ' ' CB ' ' A' ' 75' ' ' LYS . 19.6 t80 -50.88 -62.08 1.82 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.5 -0.318 . . . . 12.99 110.65 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -52.53 -42.93 64.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.477 -0.329 . . . . 7.8300000000000001 110.481 179.776 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 19.5 m -63.29 -71.44 0.17 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.96 0.41 . . . . 13.779999999999999 110.204 179.528 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.765 HD12 ' HB2' ' B' ' 62' ' ' GLN . 14.2 mt -50.33 -37.66 37.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.983 -0.553 . . . . 19.09 110.932 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.427 ' CB ' ' O ' ' A' ' 71' ' ' PHE . 37.0 ttpt -52.43 -67.71 0.23 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.945 -0.571 . . . . 19.43 110.398 179.62 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.89 -28.91 69.29 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.58 -0.736 . . . . 15.140000000000001 111.035 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.457 ' HB3' ' HA ' ' A' ' 74' ' ' LEU . 2.7 tp -66.8 -65.79 0.64 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.335 -0.393 . . . . 19.68 110.904 -179.813 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.553 ' CD1' HD11 ' D' ' 77' ' ' LEU . 18.9 m-30 -50.73 -31.72 17.45 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.445 -0.343 . . . . 25.640000000000001 110.907 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.33 -24.39 66.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.279 -0.419 . . . . 27.120000000000001 110.916 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.98 -47.15 78.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 29.789999999999999 111.064 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.457 ' OG1' HD22 ' D' ' 77' ' ' LEU . 49.0 p -55.03 -61.3 2.4 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.007 -0.542 . . . . 34.299999999999997 110.892 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 74.1 p . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.187 -0.911 . . . . 40.060000000000002 110.957 -179.993 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.791 0.329 . . . . 43.549999999999997 111.19 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -98.09 20.93 11.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.299 -0.409 . . . . 41.630000000000003 110.987 179.812 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 54' ' ' ASP . . . . . 0.404 ' O ' ' HG2' ' B' ' 57' ' ' ARG . 16.2 m-20 -63.77 -25.56 68.24 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.391 -0.368 . . . . 34.579999999999998 110.642 179.77 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -54.3 -39.8 67.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.073 -0.512 . . . . 33.310000000000002 111.013 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -63.79 -62.63 1.52 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 30.16 110.779 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 57' ' ' ARG . . . . . 0.423 ' HG3' ' N ' ' B' ' 58' ' ' LEU . 0.6 OUTLIER -51.0 -39.66 56.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.295 -0.412 . . . . 24.949999999999999 110.674 179.881 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 58' ' ' LEU . . . . . 0.763 HD22 HG23 ' D' ' 73' ' ' THR . 3.9 mt -59.98 -59.84 4.77 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.03 -0.532 . . . . 18.82 110.668 179.783 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -47.33 -35.3 7.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.89 -0.595 . . . . 17.609999999999999 110.979 179.796 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 62.6 t0 -60.77 -51.16 70.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.061 -0.518 . . . . 21.969999999999999 110.696 179.792 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -56.68 -35.64 68.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 15.77 110.512 179.643 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 62' ' ' GLN . . . . . 0.765 ' HB2' HD12 ' A' ' 74' ' ' LEU . 3.2 mm-40 -69.81 -53.17 19.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.97 -0.559 . . . . 14.890000000000001 110.625 179.667 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -52.08 -57.84 8.36 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.116 -0.493 . . . . 13.83 110.643 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -51.63 -34.02 35.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 11.77 110.57 179.662 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.48 -42.8 82.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.984 -0.553 . . . . 5.46 110.566 179.683 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 66' ' ' VAL . . . . . 0.635 HG23 ' O ' ' B' ' 62' ' ' GLN . 3.9 t -65.52 -42.55 93.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.068 -0.515 . . . . 7.3099999999999996 110.949 179.78 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 2.4 tttt -55.89 -55.92 26.82 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.037 -0.529 . . . . 19.239999999999998 110.784 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.36 -35.11 67.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 18.300000000000001 110.596 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 69' ' ' MET . . . . . 0.445 ' CE ' ' HB3' ' D' ' 62' ' ' GLN . 32.4 ttp -70.84 -49.69 43.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.981 -0.554 . . . . 12.68 110.805 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 82.2 t -74.18 -21.17 17.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.106 -0.497 . . . . 15.09 111.17 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 81.8 t80 -69.14 -45.18 70.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.385 -0.37 . . . . 24.379999999999999 110.693 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -65.15 -41.11 95.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.086 -0.507 . . . . 28.030000000000001 110.697 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 73' ' ' THR . . . . . 0.758 HG23 HD22 ' D' ' 58' ' ' LEU . 22.9 m -59.27 -46.64 87.98 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.193 -0.458 . . . . 20.219999999999999 110.771 179.81 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 74' ' ' LEU . . . . . 0.778 HD23 HD12 ' B' ' 77' ' ' LEU . 20.6 mt -59.19 -44.57 92.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 21.620000000000001 110.781 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 26.4 tttt -51.19 -42.79 61.11 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.298 -0.41 . . . . 28.559999999999999 110.549 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -74.83 -32.41 61.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.983 -0.553 . . . . 30.940000000000001 110.417 179.607 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.778 HD12 HD23 ' B' ' 74' ' ' LEU . 15.3 mt -61.37 -44.98 96.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.954 -0.566 . . . . 30.379999999999999 110.739 179.696 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 78' ' ' TYR . . . . . 0.497 ' CE2' HG22 ' C' ' 81' ' ' THR . 4.6 m-85 -79.62 -40.85 28.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.118 -0.492 . . . . 33.18 110.721 179.758 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 79' ' ' LYS . . . . . 0.451 ' O ' HG23 ' B' ' 82' ' ' THR . 7.6 ttmt -53.08 -28.43 25.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 39.590000000000003 110.776 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.33 -57.2 6.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 41.840000000000003 110.849 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 29.9 p -68.53 63.2 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 41.18 111.058 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.451 HG23 ' O ' ' B' ' 79' ' ' LYS . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.197 -0.906 . . . . 48.380000000000003 110.831 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 52' ' ' ARG . . . . . . . . . . . . . 5.0 mtt180 . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.861 0.362 . . . . 44.359999999999999 111.295 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 53' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -139.26 79.53 1.73 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 39.759999999999998 111.013 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -60.35 -30.82 69.79 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.217 -0.447 . . . . 40.170000000000002 110.763 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.83 -36.97 84.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.318 -0.401 . . . . 34.810000000000002 110.673 179.704 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -63.63 -56.35 16.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.053 -0.521 . . . . 29.890000000000001 110.371 179.616 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 57' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -65.27 -48.22 73.97 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.888 -0.596 . . . . 37.840000000000003 110.219 179.502 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 58' ' ' LEU . . . . . 0.629 ' C ' HD13 ' C' ' 58' ' ' LEU . 1.6 tm? -53.48 -48.98 68.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.761 -0.654 . . . . 28.850000000000001 110.549 179.551 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 59' ' ' ALA . . . . . 0.42 ' N ' HD13 ' C' ' 58' ' ' LEU . . . -55.72 -34.15 64.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.075 -0.511 . . . . 21.68 110.936 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -60.38 -45.23 94.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 18.239999999999998 110.749 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.41 -53.52 50.01 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.071 -0.513 . . . . 20.32 110.914 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 8.9 mp0 -53.9 -45.57 71.15 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.944 -0.571 . . . . 23.399999999999999 110.882 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 63' ' ' SER . . . . . . . . . . . . . 49.4 m -59.01 -38.32 78.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 17.809999999999999 110.765 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -60.04 -35.33 74.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.103 -0.499 . . . . 26.489999999999998 110.947 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 65' ' ' LEU . . . . . . . . . . . . . 7.7 mt -67.88 -39.69 83.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 19.469999999999999 110.701 179.767 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 66' ' ' VAL . . . . . . . . . . . . . 25.8 t -73.03 -44.83 56.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.136 -0.484 . . . . 14.890000000000001 111.188 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 67' ' ' LYS . . . . . 0.4 ' CG ' ' HB3' ' D' ' 63' ' ' SER . 71.5 tttt -60.58 -50.29 74.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.31 -0.405 . . . . 8.2899999999999991 110.729 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 68' ' ' LYS . . . . . . . . . . . . . 23.2 mtmt -56.07 -32.8 64.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.334 -0.393 . . . . 13.74 110.245 179.578 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 69' ' ' MET . . . . . . . . . . . . . 61.2 ttp -67.05 -41.99 85.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.978 -0.555 . . . . 8.3800000000000008 110.736 179.796 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 70' ' ' VAL . . . . . 0.426 HG21 HG21 ' D' ' 66' ' ' VAL . 77.0 t -71.55 -44.31 70.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.086 -0.506 . . . . 9.3599999999999994 110.989 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 71' ' ' PHE . . . . . 0.433 ' O ' ' CB ' ' C' ' 75' ' ' LYS . 19.8 t80 -50.89 -62.2 1.75 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.513 -0.312 . . . . 16.879999999999999 110.616 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 47.9 m-20 -52.39 -42.94 64.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.771 0.32 . . . . 15.0 110.497 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 73' ' ' THR . . . . . . . . . . . . . 20.0 m -63.52 -71.44 0.17 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.225 -0.443 . . . . 9.6999999999999993 110.208 179.531 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 74' ' ' LEU . . . . . 0.726 HD12 ' HB2' ' D' ' 62' ' ' GLN . 15.2 mt -50.3 -37.29 35.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.079 -0.51 . . . . 13.0 110.876 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 75' ' ' LYS . . . . . 0.433 ' CB ' ' O ' ' C' ' 71' ' ' PHE . 37.0 ttpt -52.84 -67.81 0.22 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.008 -0.542 . . . . 15.699999999999999 110.423 179.581 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 76' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.84 -28.8 69.25 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.598 -0.728 . . . . 18.440000000000001 111.11 179.787 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 77' ' ' LEU . . . . . 0.445 ' C ' HD12 ' C' ' 77' ' ' LEU . 2.7 tp -66.79 -65.8 0.64 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.456 -0.338 . . . . 21.32 110.879 -179.827 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 78' ' ' TYR . . . . . 0.637 ' CD1' HD11 ' B' ' 77' ' ' LEU . 19.2 m-30 -50.67 -31.93 17.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.9 0.381 . . . . 27.170000000000002 110.917 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.11 -24.5 66.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 24.440000000000001 110.886 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.88 -47.23 78.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 29.82 111.032 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 81' ' ' THR . . . . . 0.497 HG22 ' CE2' ' B' ' 78' ' ' TYR . 49.8 p -54.92 -61.41 2.33 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.027 -0.533 . . . . 33.420000000000002 110.875 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 82' ' ' THR . . . . . . . . . . . . . 74.1 p . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.204 -0.903 . . . . 38.200000000000003 111.005 179.974 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' D' D ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.729 0.3 . . . . 42.57 111.256 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 53' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -98.01 20.88 11.5 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.368 -0.378 . . . . 38.32 111.05 179.771 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 54' ' ' ASP . . . . . 0.404 ' HA ' ' HG2' ' D' ' 57' ' ' ARG . 16.4 m-20 -63.68 -25.59 68.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.841 0.353 . . . . 33.140000000000001 110.65 179.765 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 55' ' ' ALA . . . . . 0.418 ' HB1' ' HB2' ' C' ' 78' ' ' TYR . . . -54.35 -39.75 67.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.499 . . . . 29.379999999999999 111.076 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -63.78 -62.6 1.55 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.127 -0.488 . . . . 32.920000000000002 110.875 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 57' ' ' ARG . . . . . 0.426 ' HG3' ' N ' ' D' ' 58' ' ' LEU . 0.6 OUTLIER -50.99 -39.7 56.25 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.227 -0.442 . . . . 25.460000000000001 110.682 179.831 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' D' D ' 58' ' ' LEU . . . . . 0.758 HD22 HG23 ' B' ' 73' ' ' THR . 3.7 mt -60.02 -59.32 5.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.936 -0.574 . . . . 22.32 110.706 179.784 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 59' ' ' ALA . . . . . . . . . . . . . . . -47.71 -35.55 9.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.81 -0.632 . . . . 20.329999999999998 111.064 179.796 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 60' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -60.64 -50.99 71.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.972 -0.558 . . . . 19.93 110.684 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 61' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -56.82 -35.5 68.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.205 -0.452 . . . . 13.81 110.494 179.635 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 62' ' ' GLN . . . . . 0.726 ' HB2' HD12 ' C' ' 74' ' ' LEU . 3.2 mm-40 -69.98 -53.02 19.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.018 -0.537 . . . . 10.359999999999999 110.637 179.711 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 63' ' ' SER . . . . . 0.4 ' HB3' ' CG ' ' C' ' 67' ' ' LYS . 0.7 OUTLIER -51.97 -58.07 7.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 16.109999999999999 110.558 179.79 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' D' D ' 64' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -51.38 -33.94 32.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.114 -0.494 . . . . 15.85 110.673 179.652 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.78 -42.73 81.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.031 -0.532 . . . . 9.8300000000000001 110.53 179.718 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 66' ' ' VAL . . . . . 0.626 HG23 ' O ' ' D' ' 62' ' ' GLN . 4.0 t -65.49 -42.33 92.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 7.75 111.048 179.783 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 67' ' ' LYS . . . . . . . . . . . . . 2.4 tttt -55.98 -55.86 27.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.97 -0.559 . . . . 10.01 110.874 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.33 -35.31 67.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 10.109999999999999 110.664 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 69' ' ' MET . . . . . 0.438 ' CE ' ' HB3' ' B' ' 62' ' ' GLN . 33.4 ttp -70.64 -49.52 46.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.006 -0.543 . . . . 11.289999999999999 110.885 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 70' ' ' VAL . . . . . . . . . . . . . 81.4 t -74.28 -21.31 17.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.078 -0.51 . . . . 11.029999999999999 111.234 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -69.07 -45.1 71.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.307 -0.406 . . . . 17.75 110.675 179.782 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -65.16 -41.35 94.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 24.27 110.671 179.797 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 73' ' ' THR . . . . . 0.763 HG23 HD22 ' B' ' 58' ' ' LEU . 23.5 m -59.01 -46.65 87.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.455 . . . . 24.800000000000001 110.773 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 74' ' ' LEU . . . . . 0.783 HD23 HD12 ' D' ' 77' ' ' LEU . 20.8 mt -59.15 -44.74 92.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.107 -0.497 . . . . 26.850000000000001 110.741 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 75' ' ' LYS . . . . . . . . . . . . . 26.2 tttt -51.05 -42.88 60.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.309 -0.405 . . . . 27.359999999999999 110.511 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 76' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -74.72 -32.56 62.17 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.983 -0.553 . . . . 28.0 110.396 179.617 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 77' ' ' LEU . . . . . 0.783 HD12 HD23 ' D' ' 74' ' ' LEU . 15.1 mt -61.19 -45.07 96.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.936 -0.575 . . . . 28.899999999999999 110.669 179.756 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 78' ' ' TYR . . . . . 0.446 ' CE2' HG22 ' A' ' 81' ' ' THR . 4.6 m-85 -79.66 -40.78 28.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.046 -0.525 . . . . 33.719999999999999 110.732 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 79' ' ' LYS . . . . . 0.471 ' O ' HG23 ' D' ' 82' ' ' THR . 7.6 ttmt -53.08 -28.5 25.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.114 -0.494 . . . . 44.659999999999997 110.806 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.33 -57.37 6.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.104 -0.498 . . . . 41.659999999999997 110.787 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 81' ' ' THR . . . . . . . . . . . . . 29.8 p -68.42 63.16 0.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 41.299999999999997 111.044 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 82' ' ' THR . . . . . 0.471 HG23 ' O ' ' D' ' 79' ' ' LYS . 0.6 OUTLIER . . . . . 0 C--O 1.25 1.09 0 CA-C-O 118.21 -0.9 . . . . 49.189999999999998 110.875 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.3 ttt85 . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.785 0.326 . . . . 43.810000000000002 111.165 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -150.0 96.41 2.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 40.270000000000003 110.992 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.421 ' O ' ' CB ' ' A' ' 58' ' ' LEU . 7.0 p-10 -73.81 -25.86 60.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 37.630000000000003 110.801 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.71 -38.6 91.55 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.396 -0.366 . . . . 34.119999999999997 110.921 179.777 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -62.82 -53.87 47.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.429 . . . . 29.649999999999999 110.373 179.64 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 2.8 tpp180 -67.89 -45.02 75.62 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.884 -0.598 . . . . 35.780000000000001 110.252 179.443 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.638 ' C ' HD13 ' A' ' 58' ' ' LEU . 2.4 tm? -58.14 -42.97 87.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.828 -0.624 . . . . 25.359999999999999 110.903 179.653 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.79 -35.28 79.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 20.469999999999999 111.281 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -61.77 -39.51 91.91 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.251 -0.431 . . . . 20.460000000000001 110.934 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -65.83 -54.0 32.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 22.0 110.991 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.556 ' O ' HG23 ' A' ' 66' ' ' VAL . 79.4 mm-40 -51.63 -42.78 62.27 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.022 -0.535 . . . . 24.43 110.964 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 68.5 p -70.22 -33.14 71.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 17.079999999999998 110.876 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -63.28 -51.96 63.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 24.850000000000001 110.73 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 8.6 mt -53.72 -46.43 70.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.086 -0.507 . . . . 17.27 110.566 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.556 HG23 ' O ' ' A' ' 62' ' ' GLN . 48.2 t -59.7 -48.3 88.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 14.800000000000001 110.644 179.481 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.465 ' HG3' ' CB ' ' B' ' 63' ' ' SER . 23.6 tttt -56.66 -41.27 76.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.846 -0.616 . . . . 12.32 110.612 179.74 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.43 -42.99 98.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 12.380000000000001 110.524 179.592 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 53.8 ttp -60.61 -39.5 88.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.025 -0.534 . . . . 7.6200000000000001 110.638 179.656 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 60.5 t -70.71 -45.25 74.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.485 . . . . 9.0800000000000001 110.714 179.756 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.433 ' O ' ' CB ' ' A' ' 75' ' ' LYS . 46.4 t80 -51.62 -61.0 2.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.496 -0.32 . . . . 10.9 110.468 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 36.3 m-20 -52.45 -40.62 62.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.375 -0.375 . . . . 11.01 110.385 179.672 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.1 m -65.68 -72.38 0.16 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 12.199999999999999 110.22 179.408 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.774 HD12 ' HB2' ' B' ' 62' ' ' GLN . 13.1 mt -50.11 -35.32 25.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 13.960000000000001 110.904 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.433 ' CB ' ' O ' ' A' ' 71' ' ' PHE . 13.4 ttpt -53.62 -67.48 0.25 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.117 -0.492 . . . . 12.949999999999999 110.198 179.491 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -63.81 -33.21 75.17 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.635 -0.711 . . . . 16.5 110.788 179.794 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.632 ' C ' HD12 ' A' ' 77' ' ' LEU . 0.6 OUTLIER -63.36 -63.94 1.04 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.465 -0.334 . . . . 20.920000000000002 110.512 179.916 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.513 ' HE1' HG13 ' D' ' 70' ' ' VAL . 16.7 m-30 -53.34 -27.05 21.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.881 0.372 . . . . 24.52 110.591 179.584 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 9.7 mttt -63.37 -36.11 82.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.101 -0.5 . . . . 25.280000000000001 110.443 179.691 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.16 -27.05 66.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.959 -0.564 . . . . 27.390000000000001 110.779 179.794 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.442 HG22 ' CE1' ' D' ' 78' ' ' TYR . 0.0 OUTLIER -76.29 -42.4 45.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.013 -0.54 . . . . 33.530000000000001 110.824 179.837 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 15.2 t . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.276 -0.868 . . . . 36.549999999999997 110.831 179.939 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 8.7 mtt85 . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.663 0.268 . . . . 46.359999999999999 111.243 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 53' ' ' ASN . . . . . 0.722 ' OD1' ' HB3' ' B' ' 55' ' ' ALA . 7.1 p30 44.88 -172.08 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 116.073 -0.512 . . . . 40.829999999999998 111.34 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -81.41 -25.98 35.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.334 -0.394 . . . . 34.829999999999998 111.058 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 55' ' ' ALA . . . . . 0.722 ' HB3' ' OD1' ' B' ' 53' ' ' ASN . . . -60.03 -51.59 69.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.37 -0.377 . . . . 31.489999999999998 110.946 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.97 -47.75 83.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.272 -0.422 . . . . 32.700000000000003 110.387 179.545 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 57' ' ' ARG . . . . . 0.405 ' O ' ' HB3' ' B' ' 60' ' ' ASP . 20.7 tpp180 -59.44 -40.21 86.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.041 -0.527 . . . . 30.129999999999999 110.238 179.387 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 58' ' ' LEU . . . . . 0.799 HD22 HG23 ' D' ' 73' ' ' THR . 3.2 mt -58.22 -61.98 2.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.744 -0.662 . . . . 23.23 110.459 179.439 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -45.68 -29.31 1.22 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.696 -0.683 . . . . 19.68 111.183 179.651 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 60' ' ' ASP . . . . . 0.405 ' HB3' ' O ' ' B' ' 57' ' ' ARG . 24.1 t0 -61.82 -53.72 52.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.023 -0.535 . . . . 17.52 110.665 179.83 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 61' ' ' GLU . . . . . 0.411 ' HG3' ' N ' ' B' ' 62' ' ' GLN . 1.6 pt-20 -60.13 -28.91 68.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 11.65 110.707 179.774 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 62' ' ' GLN . . . . . 0.774 ' HB2' HD12 ' A' ' 74' ' ' LEU . 15.3 mm-40 -72.21 -48.43 43.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.924 0.392 . . . . 11.49 110.761 179.736 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 63' ' ' SER . . . . . 0.465 ' CB ' ' HG3' ' A' ' 67' ' ' LYS . 0.8 OUTLIER -57.12 -56.19 24.96 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.136 -0.484 . . . . 17.059999999999999 110.859 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 64' ' ' GLU . . . . . 0.432 ' HG3' ' N ' ' B' ' 65' ' ' LEU . 7.9 pt-20 -50.9 -35.57 33.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 17.489999999999998 110.78 179.8 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 65' ' ' LEU . . . . . 0.432 ' N ' ' HG3' ' B' ' 64' ' ' GLU . 0.1 OUTLIER -66.26 -38.29 87.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.49 . . . . 10.02 110.883 179.832 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 66' ' ' VAL . . . . . 0.543 HG23 ' O ' ' B' ' 62' ' ' GLN . 24.3 t -69.18 -37.28 76.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.242 -0.435 . . . . 8.8499999999999996 111.222 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 10.7 tttt -59.44 -58.88 6.65 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.205 -0.452 . . . . 16.27 111.017 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 45.4 tttt -54.76 -31.02 58.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.336 -0.393 . . . . 10.15 110.752 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 69' ' ' MET . . . . . . . . . . . . . 47.8 ttp -69.08 -51.42 38.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.481 . . . . 11.029999999999999 110.762 179.781 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.45 HG13 ' HE1' ' C' ' 78' ' ' TYR . 60.2 t -77.23 -20.3 14.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 11.34 111.019 179.757 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -64.4 -52.73 56.72 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.369 -0.378 . . . . 18.469999999999999 110.749 179.753 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 42.4 t0 -65.44 -40.24 93.04 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.13 -0.486 . . . . 24.530000000000001 110.706 179.728 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 73' ' ' THR . . . . . 0.814 HG23 HD22 ' D' ' 58' ' ' LEU . 16.2 m -53.42 -60.22 3.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 23.359999999999999 110.828 179.686 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 74' ' ' LEU . . . . . 0.603 ' HA ' HD12 ' B' ' 77' ' ' LEU . 28.7 mt -50.78 -39.04 51.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.119 -0.491 . . . . 27.640000000000001 110.949 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.28 -47.13 55.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 29.859999999999999 110.749 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -73.33 -26.8 61.19 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.993 -0.548 . . . . 29.690000000000001 110.604 179.724 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.603 HD12 ' HA ' ' B' ' 74' ' ' LEU . 20.3 mt -66.83 -42.47 85.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.048 -0.524 . . . . 29.359999999999999 110.762 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 78' ' ' TYR . . . . . 0.614 ' CE1' HD12 ' A' ' 58' ' ' LEU . 9.2 m-85 -82.52 -36.13 26.66 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.077 -0.511 . . . . 35.490000000000002 110.94 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 3.8 tttp -59.53 -48.68 80.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 43.5 110.849 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 74.0 tttt -54.98 -67.64 0.25 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.082 -0.508 . . . . 44.0 110.888 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 81' ' ' THR . . . . . 0.469 HG23 ' O ' ' B' ' 81' ' ' THR . 6.1 t -83.96 73.13 10.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 41.939999999999998 111.137 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.183 -0.913 . . . . 49.439999999999998 110.909 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 52' ' ' ARG . . . . . . . . . . . . . 1.4 ttt85 . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.793 0.33 . . . . 46.850000000000001 111.152 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 53' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -150.18 96.45 2.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 37.049999999999997 110.981 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 54' ' ' ASP . . . . . 0.424 ' O ' ' CB ' ' C' ' 58' ' ' LEU . 7.0 p-10 -73.84 -25.94 60.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 38.789999999999999 110.883 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.72 -38.52 91.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.224 -0.443 . . . . 31.27 110.889 179.754 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -62.8 -53.94 46.63 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.014 0.435 . . . . 27.73 110.435 179.64 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 57' ' ' ARG . . . . . . . . . . . . . 2.8 tpp180 -67.66 -45.03 76.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.905 -0.589 . . . . 29.030000000000001 110.318 179.404 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 58' ' ' LEU . . . . . 0.618 ' C ' HD13 ' C' ' 58' ' ' LEU . 2.4 tm? -58.18 -43.16 87.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.716 -0.675 . . . . 29.75 110.891 179.658 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.46 -35.48 79.46 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.222 -0.444 . . . . 25.280000000000001 111.225 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -61.56 -39.45 91.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.248 -0.433 . . . . 26.809999999999999 110.94 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -66.04 -53.86 33.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 26.809999999999999 110.948 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 62' ' ' GLN . . . . . 0.564 ' O ' HG23 ' C' ' 66' ' ' VAL . 79.7 mm-40 -51.73 -42.73 62.5 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.065 -0.516 . . . . 18.91 110.911 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 63' ' ' SER . . . . . . . . . . . . . 68.0 p -70.37 -33.18 71.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 16.199999999999999 110.781 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -63.26 -52.02 63.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.292 -0.413 . . . . 18.199999999999999 110.741 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 65' ' ' LEU . . . . . . . . . . . . . 8.6 mt -53.66 -46.21 70.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 18.109999999999999 110.631 179.792 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 66' ' ' VAL . . . . . 0.564 HG23 ' O ' ' C' ' 62' ' ' GLN . 48.4 t -59.83 -48.34 88.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.01 0.433 . . . . 10.140000000000001 110.692 179.486 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 67' ' ' LYS . . . . . 0.455 ' HG3' ' CB ' ' D' ' 63' ' ' SER . 23.7 tttt -56.92 -41.07 77.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.901 -0.59 . . . . 16.079999999999998 110.559 179.798 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.54 -42.76 98.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 22.579999999999998 110.485 179.612 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 69' ' ' MET . . . . . . . . . . . . . 53.9 ttp -60.81 -39.65 89.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.094 -0.503 . . . . 9.0600000000000005 110.486 179.694 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 59.7 t -70.61 -45.17 75.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.095 -0.502 . . . . 7.0199999999999996 110.761 179.789 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 71' ' ' PHE . . . . . 0.432 ' O ' ' CB ' ' C' ' 75' ' ' LYS . 46.4 t80 -51.64 -61.03 2.5 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.484 -0.326 . . . . 18.390000000000001 110.494 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -52.51 -40.64 62.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.293 -0.412 . . . . 12.57 110.324 179.677 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 73' ' ' THR . . . . . . . . . . . . . 17.7 m -65.62 -72.49 0.15 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 11.109999999999999 110.172 179.455 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 74' ' ' LEU . . . . . 0.763 HD12 ' HB2' ' D' ' 62' ' ' GLN . 13.7 mt -50.13 -35.4 25.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.064 -0.517 . . . . 18.420000000000002 110.889 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 75' ' ' LYS . . . . . 0.432 ' CB ' ' O ' ' C' ' 71' ' ' PHE . 13.4 ttpt -53.48 -67.93 0.22 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.121 -0.491 . . . . 19.899999999999999 110.122 179.406 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 76' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -63.24 -33.11 74.78 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.716 -0.674 . . . . 17.16 110.958 179.705 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 77' ' ' LEU . . . . . 0.637 ' C ' HD12 ' C' ' 77' ' ' LEU . 0.6 OUTLIER -63.5 -64.06 1.01 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.345 -0.389 . . . . 19.870000000000001 110.533 179.89 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' C' C ' 78' ' ' TYR . . . . . 0.45 ' HE1' HG13 ' B' ' 70' ' ' VAL . 16.8 m-30 -53.32 -27.03 21.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.88 0.371 . . . . 26.73 110.552 179.616 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 9.7 mttt -63.37 -36.26 83.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 28.0 110.442 179.648 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.97 -27.22 67.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.005 -0.543 . . . . 31.91 110.668 179.737 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 81' ' ' THR . . . . . 0.432 HG22 ' CE1' ' B' ' 78' ' ' TYR . 0.0 OUTLIER -76.2 -42.22 46.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 35.640000000000001 110.818 179.905 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' C' C ' 82' ' ' THR . . . . . . . . . . . . . 15.2 t . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.266 -0.873 . . . . 41.340000000000003 110.914 179.946 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' D' D ' 52' ' ' ARG . . . . . . . . . . . . . 8.5 mtt85 . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.655 0.264 . . . . 45.479999999999997 111.17 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' D' D ' 53' ' ' ASN . . . . . 0.73 ' OD1' ' HB3' ' D' ' 55' ' ' ALA . 7.2 p30 44.67 -171.96 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.118 -0.492 . . . . 40.030000000000001 111.333 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -81.52 -25.97 35.5 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.341 -0.39 . . . . 32.759999999999998 111.014 -179.735 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 55' ' ' ALA . . . . . 0.73 ' HB3' ' OD1' ' D' ' 53' ' ' ASN . . . -59.91 -51.64 68.84 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.355 -0.384 . . . . 31.649999999999999 110.931 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.16 -47.55 84.05 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.27 -0.423 . . . . 30.66 110.433 179.585 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 57' ' ' ARG . . . . . 0.407 ' O ' ' HB3' ' D' ' 60' ' ' ASP . 20.7 tpp180 -59.73 -39.96 86.48 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.131 -0.486 . . . . 23.030000000000001 110.195 179.447 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 58' ' ' LEU . . . . . 0.814 HD22 HG23 ' B' ' 73' ' ' THR . 3.2 mt -58.41 -61.71 2.38 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.772 -0.649 . . . . 18.48 110.38 179.484 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 59' ' ' ALA . . . . . . . . . . . . . . . -45.89 -29.38 1.37 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.662 -0.699 . . . . 18.460000000000001 111.217 179.722 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 60' ' ' ASP . . . . . 0.407 ' HB3' ' O ' ' D' ' 57' ' ' ARG . 24.8 t0 -62.03 -53.35 56.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.92 -0.582 . . . . 23.609999999999999 110.714 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 61' ' ' GLU . . . . . 0.408 ' HG3' ' N ' ' D' ' 62' ' ' GLN . 1.6 pt-20 -60.26 -28.81 68.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.277 -0.42 . . . . 16.5 110.712 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 62' ' ' GLN . . . . . 0.763 ' HB2' HD12 ' C' ' 74' ' ' LEU . 15.4 mm-40 -72.48 -48.36 41.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 14.59 110.817 179.749 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 63' ' ' SER . . . . . 0.455 ' CB ' ' HG3' ' C' ' 67' ' ' LYS . 0.8 OUTLIER -56.96 -56.07 26.42 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.203 -0.453 . . . . 12.82 110.769 -179.941 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' D' D ' 64' ' ' GLU . . . . . 0.429 ' HG3' ' N ' ' D' ' 65' ' ' LEU . 7.9 pt-20 -50.97 -35.27 32.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 7.71 110.786 179.732 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 65' ' ' LEU . . . . . 0.429 ' N ' ' HG3' ' D' ' 64' ' ' GLU . 0.1 OUTLIER -66.7 -38.32 86.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.067 -0.515 . . . . 5.5999999999999996 110.855 179.921 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' D' D ' 66' ' ' VAL . . . . . 0.538 HG23 ' O ' ' D' ' 62' ' ' GLN . 23.5 t -68.94 -37.55 77.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.249 -0.432 . . . . 5.8200000000000003 111.211 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 67' ' ' LYS . . . . . . . . . . . . . 10.7 tttt -59.23 -59.15 5.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 14.119999999999999 110.899 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 68' ' ' LYS . . . . . . . . . . . . . 45.7 tttt -54.62 -31.03 56.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.376 -0.375 . . . . 17.640000000000001 110.745 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 69' ' ' MET . . . . . . . . . . . . . 48.3 ttp -69.15 -51.28 39.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 12.970000000000001 110.747 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 70' ' ' VAL . . . . . 0.513 HG13 ' HE1' ' A' ' 78' ' ' TYR . 61.5 t -77.57 -19.86 14.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 15.35 111.131 179.74 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -64.6 -52.78 55.7 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.928 0.394 . . . . 24.649999999999999 110.615 179.671 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -65.3 -40.33 93.65 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.061 -0.518 . . . . 28.43 110.684 179.723 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 73' ' ' THR . . . . . 0.799 HG23 HD22 ' B' ' 58' ' ' LEU . 15.6 m -53.53 -60.32 3.46 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.159 -0.473 . . . . 22.719999999999999 110.717 179.811 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 74' ' ' LEU . . . . . 0.603 ' HA ' HD12 ' D' ' 77' ' ' LEU . 32.2 mt -50.52 -39.12 47.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.081 -0.509 . . . . 21.109999999999999 110.876 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.31 -47.17 55.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 26.219999999999999 110.755 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 76' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -73.34 -26.89 61.22 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.011 -0.541 . . . . 30.129999999999999 110.614 179.764 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 77' ' ' LEU . . . . . 0.603 HD12 ' HA ' ' D' ' 74' ' ' LEU . 20.6 mt -66.74 -42.41 86.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.073 -0.512 . . . . 30.440000000000001 110.753 179.834 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 78' ' ' TYR . . . . . 0.559 ' CE1' HD12 ' C' ' 58' ' ' LEU . 9.0 m-85 -82.62 -36.14 26.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.103 -0.498 . . . . 31.949999999999999 110.952 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 79' ' ' LYS . . . . . . . . . . . . . 3.7 tttp -59.51 -48.58 81.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 42.159999999999997 110.835 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 80' ' ' LYS . . . . . . . . . . . . . 74.1 tttt -55.11 -67.55 0.26 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.162 -0.472 . . . . 39.57 110.907 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 81' ' ' THR . . . . . 0.473 HG23 ' O ' ' D' ' 81' ' ' THR . 6.0 t -84.01 72.92 10.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 39.509999999999998 111.052 -179.841 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 82' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.21 -0.9 . . . . 45.530000000000001 110.833 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 12.2 ptt180 . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.826 0.346 . . . . 48.799999999999997 111.191 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -94.97 76.06 3.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.168 -0.469 . . . . 38.210000000000001 110.841 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.27 -28.01 61.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 39.869999999999997 110.853 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.471 ' HB1' ' HB3' ' B' ' 78' ' ' TYR . . . -57.87 -40.02 79.19 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.379 -0.373 . . . . 31.84 110.894 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -67.49 -56.99 7.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.284 -0.416 . . . . 27.34 110.545 179.776 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 4.6 mtt-85 -58.68 -45.21 89.94 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.954 -0.566 . . . . 28.829999999999998 110.362 179.623 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.41 ' HA ' HD23 ' A' ' 58' ' ' LEU . 13.1 mt -54.45 -52.84 60.54 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.827 -0.624 . . . . 31.140000000000001 110.465 179.698 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.5 -36.72 45.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.495 . . . . 24.629999999999999 110.701 179.722 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -73.2 -30.97 63.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.994 -0.548 . . . . 25.280000000000001 110.546 179.644 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -74.35 -45.41 47.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.052 -0.522 . . . . 26.129999999999999 110.627 179.771 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 58.3 mm-40 -57.3 -47.81 80.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.01 -0.541 . . . . 18.329999999999998 110.619 179.663 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 12.1 p -58.89 -40.01 83.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.053 -0.522 . . . . 16.100000000000001 110.644 179.788 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.414 ' O ' ' HG2' ' A' ' 67' ' ' LYS . 0.0 OUTLIER -58.42 -27.93 64.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.481 . . . . 17.460000000000001 110.568 179.775 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 71.0 mt -77.87 -34.53 51.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.148 -0.478 . . . . 18.699999999999999 110.061 179.437 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 87.1 t -76.57 -43.78 34.76 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 CA-C-N 115.899 -0.591 . . . . 10.08 110.627 179.366 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.414 ' HG2' ' O ' ' A' ' 64' ' ' GLU . 20.2 ptmt -59.41 -42.81 92.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.073 -0.512 . . . . 13.970000000000001 110.541 179.777 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -63.27 -38.68 92.09 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.122 -0.49 . . . . 21.559999999999999 110.218 179.568 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.656 ' HE2' HG21 ' C' ' 73' ' ' THR . 57.6 ttp -64.54 -43.2 94.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.961 -0.563 . . . . 9.1699999999999999 110.423 179.667 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 62.1 t -70.17 -41.97 79.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.1 -0.5 . . . . 7.6100000000000003 110.641 179.632 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.413 ' O ' ' HB2' ' A' ' 75' ' ' LYS . 14.3 t80 -52.58 -63.98 0.97 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.368 -0.378 . . . . 19.399999999999999 110.43 179.743 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -51.05 -42.68 60.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.336 -0.393 . . . . 12.710000000000001 110.564 179.829 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.669 HG21 ' HE2' ' C' ' 69' ' ' MET . 18.6 m -64.16 -71.06 0.19 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.384 -0.371 . . . . 10.26 110.267 179.603 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.696 HD12 ' HB2' ' B' ' 62' ' ' GLN . 19.1 mt -50.82 -33.93 25.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.081 -0.508 . . . . 17.84 110.882 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.413 ' HB2' ' O ' ' A' ' 71' ' ' PHE . 3.7 ttpt -56.83 -65.53 0.6 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.037 -0.529 . . . . 19.98 110.185 179.441 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.61 -31.24 71.8 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.596 -0.729 . . . . 17.510000000000002 110.964 179.782 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.708 ' O ' HD12 ' A' ' 77' ' ' LEU . 0.8 OUTLIER -61.96 -53.92 48.93 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.363 -0.381 . . . . 19.809999999999999 110.752 -179.871 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.504 ' OH ' HG13 ' D' ' 70' ' ' VAL . 22.9 m-85 -65.46 -22.21 66.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.375 -0.375 . . . . 26.829999999999998 110.828 179.752 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 3.3 mttt -74.17 -32.74 63.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.278 -0.419 . . . . 27.309999999999999 110.573 179.76 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.04 -29.65 68.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 31.07 110.957 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -67.54 -73.41 0.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 34.159999999999997 111.004 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 4.7 t . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.313 -0.851 . . . . 41.07 110.894 179.948 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.828 0.347 . . . . 43.460000000000001 111.202 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -113.46 28.4 8.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.129 -0.487 . . . . 38.549999999999997 110.759 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -70.93 -24.67 62.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.095 -0.502 . . . . 32.390000000000001 110.962 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 55' ' ' ALA . . . . . 0.488 ' HB1' ' HB2' ' A' ' 78' ' ' TYR . . . -57.23 -45.94 83.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.301 -0.409 . . . . 30.670000000000002 111.114 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -61.01 -44.01 98.05 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.242 -0.436 . . . . 30.91 110.767 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 2.3 mtt-85 -62.8 -33.08 74.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 22.32 110.793 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 58' ' ' LEU . . . . . 0.675 HD22 HG23 ' D' ' 73' ' ' THR . 26.4 mt -71.51 -61.02 1.93 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 18.219999999999999 110.68 179.731 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -47.06 -30.31 2.64 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.873 -0.603 . . . . 18.789999999999999 111.2 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -69.02 -58.58 3.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.066 -0.516 . . . . 24.760000000000002 110.806 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 61' ' ' GLU . . . . . 0.439 ' HA ' ' CG ' ' B' ' 64' ' ' GLU . 2.1 mm-40 -58.26 -29.98 66.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 16.73 110.691 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 62' ' ' GLN . . . . . 0.696 ' HB2' HD12 ' A' ' 74' ' ' LEU . 2.1 mm-40 -71.93 -38.63 69.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.96 -0.564 . . . . 14.279999999999999 110.773 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -69.76 -57.26 5.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.118 -0.492 . . . . 12.85 110.793 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 64' ' ' GLU . . . . . 0.439 ' CG ' ' HA ' ' B' ' 61' ' ' GLU . 0.0 OUTLIER -50.84 -30.27 13.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.332 -0.395 . . . . 7.9500000000000002 110.564 179.717 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.21 -49.91 57.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.949 -0.568 . . . . 6.3399999999999999 110.526 179.638 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 66' ' ' VAL . . . . . 0.588 HG23 ' O ' ' B' ' 62' ' ' GLN . 38.2 t -57.54 -31.86 40.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 5.1600000000000001 110.918 179.682 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 67' ' ' LYS . . . . . 0.417 ' O ' ' N ' ' B' ' 71' ' ' PHE . 0.1 OUTLIER -60.87 -53.32 58.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.002 -0.544 . . . . 10.01 111.158 -179.876 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 22.1 tttt -58.96 -34.28 71.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.395 -0.366 . . . . 17.829999999999998 111.086 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 69' ' ' MET . . . . . . . . . . . . . 35.2 ttp -73.36 -45.2 56.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 13.25 111.103 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.617 HG13 ' OH ' ' C' ' 78' ' ' TYR . 95.0 t -79.72 -21.54 12.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.304 -0.407 . . . . 15.300000000000001 111.227 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.417 ' N ' ' O ' ' B' ' 67' ' ' LYS . 60.7 t80 -68.94 -39.7 79.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.369 -0.378 . . . . 24.129999999999999 110.632 179.774 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -70.84 -50.01 40.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 28.399999999999999 110.564 179.746 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 73' ' ' THR . . . . . 0.692 HG23 HD22 ' D' ' 58' ' ' LEU . 98.3 m -52.84 -43.27 65.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.052 -0.522 . . . . 23.43 110.736 179.741 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 71.6 mt -63.89 -36.62 84.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.084 -0.507 . . . . 21.510000000000002 110.689 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -51.83 -44.41 63.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 25.84 110.685 179.842 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 74.7 m-20 -75.71 -36.39 60.01 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.989 -0.551 . . . . 30.850000000000001 110.647 179.734 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.432 ' CD1' ' CD1' ' C' ' 78' ' ' TYR . 17.4 mt -57.77 -42.05 83.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.007 -0.542 . . . . 29.98 110.636 179.717 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 78' ' ' TYR . . . . . 0.471 ' HB3' ' HB1' ' A' ' 55' ' ' ALA . 4.4 m-85 -82.24 -33.09 29.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.025 -0.534 . . . . 31.34 110.893 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 6.0 ttmt -53.53 -38.56 63.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 41.75 110.811 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 8.6 mttt -70.98 -22.49 62.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 38.780000000000001 110.94 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 81' ' ' THR . . . . . 0.526 HG23 ' O ' ' B' ' 81' ' ' THR . 10.2 t -139.04 67.98 1.39 Allowed 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 116.308 -0.405 . . . . 38.380000000000003 110.834 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.252 -0.88 . . . . 44.619999999999997 110.876 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 52' ' ' ARG . . . . . . . . . . . . . 12.2 ptt180 . . . . . 0 N--CA 1.486 1.33 0 CA-C-O 120.775 0.321 . . . . 47.619999999999997 111.278 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 53' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -95.1 76.2 3.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 41.960000000000001 110.851 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 54' ' ' ASP . . . . . 0.404 ' O ' ' HG ' ' C' ' 58' ' ' LEU . 0.5 OUTLIER -74.37 -27.89 60.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.479 . . . . 38.469999999999999 110.894 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' C' C ' 55' ' ' ALA . . . . . 0.634 ' HB1' ' HB3' ' D' ' 78' ' ' TYR . . . -57.97 -39.99 79.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.288 -0.415 . . . . 34.880000000000003 110.935 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -67.5 -56.97 7.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.451 . . . . 30.370000000000001 110.593 179.782 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 57' ' ' ARG . . . . . . . . . . . . . 4.7 mtt-85 -58.7 -45.16 90.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.903 -0.59 . . . . 34.810000000000002 110.402 179.62 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 58' ' ' LEU . . . . . 0.404 ' HG ' ' O ' ' C' ' 54' ' ' ASP . 13.2 mt -54.32 -53.02 59.53 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.869 -0.605 . . . . 25.300000000000001 110.486 179.644 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.34 -36.83 44.73 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.017 -0.538 . . . . 20.859999999999999 110.668 179.675 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -73.15 -31.07 64.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.042 -0.527 . . . . 22.059999999999999 110.562 179.701 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -74.18 -45.56 47.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.047 -0.524 . . . . 23.539999999999999 110.67 179.718 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 62' ' ' GLN . . . . . 0.403 ' HB2' HD13 ' D' ' 74' ' ' LEU . 58.5 mm-40 -57.22 -47.88 80.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.932 -0.576 . . . . 25.050000000000001 110.516 179.733 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 63' ' ' SER . . . . . . . . . . . . . 12.1 p -58.69 -40.15 82.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.079 -0.51 . . . . 16.879999999999999 110.612 179.78 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 64' ' ' GLU . . . . . 0.412 ' O ' ' HG2' ' C' ' 67' ' ' LYS . 0.0 OUTLIER -58.35 -28.03 64.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.469 . . . . 24.949999999999999 110.597 179.836 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' C' C ' 65' ' ' LEU . . . . . . . . . . . . . 72.4 mt -77.75 -34.64 52.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.09 -0.504 . . . . 16.530000000000001 110.083 179.48 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 66' ' ' VAL . . . . . . . . . . . . . 91.0 t -76.55 -43.91 34.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.846 -0.616 . . . . 14.42 110.633 179.438 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 67' ' ' LYS . . . . . 0.412 ' HG2' ' O ' ' C' ' 64' ' ' GLU . 20.2 ptmt -59.25 -42.98 92.39 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.975 -0.557 . . . . 14.83 110.527 179.694 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 68' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -63.09 -38.58 91.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 13.619999999999999 110.285 179.54 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 69' ' ' MET . . . . . 0.669 ' HE2' HG21 ' A' ' 73' ' ' THR . 57.7 ttp -64.64 -43.28 94.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.003 -0.544 . . . . 7.1699999999999999 110.446 179.649 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 59.7 t -70.19 -42.08 78.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.016 -0.538 . . . . 8.6699999999999999 110.578 179.678 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 71' ' ' PHE . . . . . 0.407 ' O ' ' HB2' ' C' ' 75' ' ' LYS . 14.3 t80 -52.28 -64.1 0.92 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.422 -0.354 . . . . 8.8300000000000001 110.388 179.679 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -51.12 -42.31 60.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.325 -0.398 . . . . 11.119999999999999 110.633 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 73' ' ' THR . . . . . 0.656 HG21 ' HE2' ' A' ' 69' ' ' MET . 18.6 m -64.38 -70.93 0.2 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.327 -0.397 . . . . 13.130000000000001 110.279 179.579 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 74' ' ' LEU . . . . . 0.711 HD12 ' HB2' ' D' ' 62' ' ' GLN . 20.0 mt -50.77 -34.27 26.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.085 -0.507 . . . . 14.81 110.932 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 75' ' ' LYS . . . . . 0.407 ' HB2' ' O ' ' C' ' 71' ' ' PHE . 3.7 ttpt -56.64 -65.55 0.59 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.977 -0.556 . . . . 13.19 110.227 179.499 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 76' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.64 -31.26 71.83 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.675 -0.693 . . . . 16.359999999999999 110.966 179.709 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 77' ' ' LEU . . . . . 0.725 ' O ' HD12 ' C' ' 77' ' ' LEU . 0.7 OUTLIER -61.92 -53.97 48.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.404 -0.362 . . . . 21.18 110.718 -179.884 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' C' C ' 78' ' ' TYR . . . . . 0.617 ' OH ' HG13 ' B' ' 70' ' ' VAL . 22.7 m-85 -65.35 -22.37 66.8 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.418 -0.355 . . . . 23.760000000000002 110.865 179.7 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 3.4 mttt -74.16 -32.43 63.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.309 -0.405 . . . . 28.760000000000002 110.648 179.719 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.22 -29.57 68.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 26.870000000000001 110.995 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 81' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -67.6 -73.47 0.14 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.128 -0.487 . . . . 33.189999999999998 110.951 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 82' ' ' THR . . . . . . . . . . . . . 4.7 t . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.353 -0.832 . . . . 36.409999999999997 110.947 -179.983 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' D' D ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.888 0.375 . . . . 45.479999999999997 111.213 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 53' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -113.31 28.42 8.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 40.390000000000001 110.747 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -71.0 -24.49 62.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.119 -0.492 . . . . 34.859999999999999 110.958 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 55' ' ' ALA . . . . . 0.52 ' HB1' ' HB2' ' C' ' 78' ' ' TYR . . . -57.4 -46.03 83.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.292 -0.413 . . . . 31.489999999999998 111.02 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -60.89 -43.86 97.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 32.020000000000003 110.815 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 57' ' ' ARG . . . . . . . . . . . . . 2.4 mtt-85 -63.01 -32.77 74.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 32.450000000000003 110.738 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 58' ' ' LEU . . . . . 0.692 HD22 HG23 ' B' ' 73' ' ' THR . 26.6 mt -71.82 -60.8 2.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 22.399999999999999 110.691 179.801 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 59' ' ' ALA . . . . . . . . . . . . . . . -47.22 -30.03 2.74 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.937 -0.574 . . . . 18.93 111.18 179.732 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 60' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.29 -58.44 4.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.053 -0.521 . . . . 19.41 110.802 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 61' ' ' GLU . . . . . 0.447 ' HA ' ' CG ' ' D' ' 64' ' ' GLU . 2.1 mm-40 -58.53 -29.73 66.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.286 -0.415 . . . . 11.99 110.755 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 62' ' ' GLN . . . . . 0.711 ' HB2' HD12 ' C' ' 74' ' ' LEU . 2.0 mm-40 -72.03 -38.77 69.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.994 -0.548 . . . . 11.65 110.787 179.815 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 63' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -69.59 -57.27 5.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.075 -0.511 . . . . 16.899999999999999 110.918 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 64' ' ' GLU . . . . . 0.447 ' CG ' ' HA ' ' D' ' 61' ' ' GLU . 0.0 OUTLIER -50.83 -30.38 14.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.99 0.424 . . . . 18.829999999999998 110.608 179.702 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' D' D ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.08 -49.93 58.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.919 -0.582 . . . . 9.4800000000000004 110.593 179.622 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 66' ' ' VAL . . . . . 0.605 HG23 ' O ' ' D' ' 62' ' ' GLN . 38.3 t -57.6 -31.85 40.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.069 -0.514 . . . . 8.9299999999999997 110.929 179.699 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.82 -53.32 58.73 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.933 -0.576 . . . . 17.82 111.21 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 68' ' ' LYS . . . . . . . . . . . . . 21.9 tttt -59.06 -34.1 71.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.321 -0.399 . . . . 11.19 111.093 -179.759 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 69' ' ' MET . . . . . . . . . . . . . 35.0 ttp -73.48 -45.25 55.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 11.300000000000001 111.133 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 70' ' ' VAL . . . . . 0.504 HG13 ' OH ' ' A' ' 78' ' ' TYR . 99.9 t -79.68 -21.6 12.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 11.66 111.191 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -68.75 -39.73 80.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.957 0.408 . . . . 18.66 110.707 179.686 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -70.77 -50.14 39.12 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.049 -0.523 . . . . 23.91 110.521 179.639 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 73' ' ' THR . . . . . 0.675 HG23 HD22 ' B' ' 58' ' ' LEU . 98.3 m -52.61 -43.36 65.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.077 -0.51 . . . . 22.210000000000001 110.659 179.792 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 74' ' ' LEU . . . . . 0.403 HD13 ' HB2' ' C' ' 62' ' ' GLN . 71.3 mt -63.93 -36.67 84.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 26.920000000000002 110.821 179.819 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 75' ' ' LYS . . . . . . . . . . . . . 1.1 ttpt -51.95 -43.94 63.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 29.870000000000001 110.764 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 76' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -76.18 -36.18 58.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.049 -0.523 . . . . 29.48 110.51 179.748 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 77' ' ' LEU . . . . . 0.407 ' CD1' ' CD1' ' A' ' 78' ' ' TYR . 17.2 mt -57.97 -41.87 83.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.961 -0.563 . . . . 28.43 110.66 179.734 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 78' ' ' TYR . . . . . 0.634 ' HB3' ' HB1' ' C' ' 55' ' ' ALA . 4.6 m-85 -82.44 -33.02 28.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.005 -0.543 . . . . 34.409999999999997 110.815 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 79' ' ' LYS . . . . . . . . . . . . . 6.0 ttmt -53.54 -38.61 63.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 40.68 110.871 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 80' ' ' LYS . . . . . . . . . . . . . 8.6 mttt -70.93 -22.47 62.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 42.619999999999997 110.984 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 81' ' ' THR . . . . . 0.515 HG23 ' O ' ' D' ' 81' ' ' THR . 10.2 t -139.03 67.78 1.39 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.377 -0.374 . . . . 39.869999999999997 110.955 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 82' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.242 -0.885 . . . . 47.560000000000002 110.856 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 18.8 tpt180 . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.908 0.385 . . . . 48.329999999999998 111.247 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -62.64 89.11 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 36.450000000000003 110.811 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 52.9 m-20 -51.91 -29.74 21.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 38.740000000000002 110.833 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.27 -43.44 98.88 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.869 0.366 . . . . 30.710000000000001 110.718 179.732 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -65.55 -51.03 62.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 27.77 110.496 179.668 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 47.1 mtp180 -62.37 -44.88 95.44 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.953 -0.567 . . . . 26.98 110.384 179.459 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.467 HD23 ' HA ' ' A' ' 58' ' ' LEU . 13.7 mt -56.23 -49.9 72.8 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.729 -0.668 . . . . 28.170000000000002 110.771 179.72 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.41 -37.76 50.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.078 -0.51 . . . . 24.530000000000001 110.905 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.45 -34.72 65.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.107 -0.497 . . . . 26.059999999999999 110.775 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -69.78 -47.41 63.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 27.620000000000001 110.742 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.492 ' HA ' HD12 ' A' ' 65' ' ' LEU . 47.1 mm-40 -59.95 -40.98 90.83 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.059 -0.519 . . . . 19.670000000000002 110.685 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 59.0 m -67.29 -31.86 72.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 16.039999999999999 110.814 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -60.12 -49.72 76.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 18.02 110.598 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.492 HD12 ' HA ' ' A' ' 62' ' ' GLN . 3.6 mt -56.17 -44.69 79.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.052 -0.522 . . . . 16.649999999999999 110.724 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.425 ' O ' ' HG2' ' A' ' 69' ' ' MET . 72.2 t -68.31 -46.45 80.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.197 -0.456 . . . . 10.01 110.865 179.797 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.26 -25.04 67.49 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.203 -0.453 . . . . 18.43 110.471 179.55 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 13.8 ttpt -79.05 -42.78 25.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.078 -0.51 . . . . 21.010000000000002 110.731 179.64 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.456 ' HE2' HG21 ' C' ' 73' ' ' THR . 8.0 ptt? -66.72 -27.16 67.4 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.279 -0.419 . . . . 8.6199999999999992 110.718 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.404 HG23 ' O ' ' A' ' 66' ' ' VAL . 62.5 t -78.15 -44.03 27.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.233 -0.44 . . . . 5.3399999999999999 110.539 179.64 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.415 ' O ' ' CB ' ' A' ' 75' ' ' LYS . 35.8 t80 -49.94 -58.33 5.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.327 -0.397 . . . . 15.42 110.533 179.776 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -54.92 -45.55 74.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 9.3900000000000006 110.349 179.46 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.462 HG21 ' HE1' ' C' ' 69' ' ' MET . 19.0 m -60.99 -68.97 0.26 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.965 -0.561 . . . . 12.65 110.373 179.677 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.465 ' CD1' ' HB3' ' B' ' 62' ' ' GLN . 14.2 mt -52.34 -38.81 59.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 18.829999999999998 111.016 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.415 ' CB ' ' O ' ' A' ' 71' ' ' PHE . 14.0 tttt -54.63 -68.59 0.17 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.127 0.489 . . . . 21.719999999999999 110.176 179.474 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -62.46 -29.44 70.53 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.66 -0.7 . . . . 15.460000000000001 110.938 179.695 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.621 ' C ' HD12 ' A' ' 77' ' ' LEU . 0.7 OUTLIER -65.15 -60.97 2.44 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.29 -0.414 . . . . 19.210000000000001 110.665 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.513 ' CZ ' HG21 ' D' ' 73' ' ' THR . 20.8 m-85 -56.54 -26.42 54.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.352 -0.385 . . . . 25.789999999999999 110.486 179.716 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.89 -28.22 68.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.49 . . . . 27.07 110.719 179.799 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.64 -42.43 98.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 30.050000000000001 110.835 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 71.4 p -63.63 -76.89 0.06 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.102 -0.499 . . . . 34.009999999999998 110.796 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.2 t . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.234 -0.889 . . . . 39.32 110.854 -179.963 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 15.6 mtp180 . . . . . 0 N--CA 1.487 1.42 0 CA-C-O 120.815 0.341 . . . . 45.869999999999997 111.112 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -174.72 -177.3 1.13 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.102 -0.499 . . . . 40.329999999999998 110.78 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -55.05 -36.09 65.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.262 -0.426 . . . . 33.310000000000002 111.011 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -52.05 -41.42 62.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.257 -0.428 . . . . 33.0 110.878 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -70.16 -50.54 39.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.128 -0.487 . . . . 30.210000000000001 110.765 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 6.2 mtt180 -58.96 -38.73 79.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 26.780000000000001 110.644 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 58' ' ' LEU . . . . . 0.863 HD22 HG23 ' D' ' 73' ' ' THR . 60.0 mt -63.7 -60.48 3.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.064 -0.516 . . . . 18.140000000000001 110.67 179.723 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 59' ' ' ALA . . . . . 0.424 ' O ' ' CB ' ' B' ' 63' ' ' SER . . . -47.95 -28.18 2.58 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.847 -0.615 . . . . 18.420000000000002 111.135 179.815 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 62.3 t0 -73.67 -62.29 1.54 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 22.149999999999999 110.874 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 61' ' ' GLU . . . . . 0.722 ' OE2' HD23 ' B' ' 58' ' ' LEU . 10.4 pt-20 -57.4 -41.44 80.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.435 -0.348 . . . . 16.16 110.55 179.709 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 62' ' ' GLN . . . . . 0.603 ' O ' HG23 ' B' ' 66' ' ' VAL . 0.0 OUTLIER -67.47 -39.85 85.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 15.09 110.974 179.695 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 63' ' ' SER . . . . . 0.424 ' CB ' ' O ' ' B' ' 59' ' ' ALA . 78.9 p -70.78 -56.71 5.75 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.393 -0.367 . . . . 12.67 110.7 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 23.1 pt-20 -50.91 -35.59 33.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.434 . . . . 10.369999999999999 110.735 179.758 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 3.8 tt -61.68 -43.46 98.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.195 -0.457 . . . . 5.6299999999999999 110.648 179.747 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 66' ' ' VAL . . . . . 0.603 HG23 ' O ' ' B' ' 62' ' ' GLN . 11.1 t -57.61 -42.48 81.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 6.6799999999999997 110.985 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 8.2 tttp -54.7 -57.8 10.04 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.077 -0.511 . . . . 17.359999999999999 110.866 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 1.5 mptt -52.79 -38.13 60.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 18.57 110.762 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 69' ' ' MET . . . . . . . . . . . . . 16.7 ttp -67.04 -49.9 63.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 13.1 110.952 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 75.2 t -72.69 -24.83 21.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.01 -0.541 . . . . 15.51 111.37 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -59.9 -49.44 77.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.867 0.365 . . . . 25.129999999999999 110.644 179.76 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -64.33 -45.29 88.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 28.710000000000001 110.58 179.754 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 73' ' ' THR . . . . . 0.842 HG23 HD22 ' D' ' 58' ' ' LEU . 51.6 m -52.18 -50.48 61.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.097 -0.501 . . . . 21.120000000000001 110.795 179.756 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 74' ' ' LEU . . . . . 0.448 ' HA ' HD12 ' B' ' 77' ' ' LEU . 36.0 mt -62.06 -41.22 97.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.114 -0.494 . . . . 21.309999999999999 110.834 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -50.19 -39.02 42.73 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.288 -0.414 . . . . 27.940000000000001 110.624 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -80.93 -34.99 32.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.953 -0.567 . . . . 30.710000000000001 110.563 179.651 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.489 HD11 ' CD1' ' C' ' 78' ' ' TYR . 19.0 mt -58.77 -42.54 89.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.029 -0.532 . . . . 30.43 110.847 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -79.06 -46.93 17.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.497 . . . . 32.549999999999997 110.846 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 12.3 ttpt -53.49 -27.29 24.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.992 -0.549 . . . . 40.420000000000002 111.093 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 10.5 mttm -77.4 -17.36 58.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 40.670000000000002 111.301 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 81' ' ' THR . . . . . 0.461 HG23 ' O ' ' B' ' 81' ' ' THR . 4.0 t -152.27 92.59 1.71 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.826 0.346 . . . . 39.82 111.057 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 26.5 p . . . . . 0 C--O 1.248 1.005 0 CA-C-O 118.243 -0.884 . . . . 46.329999999999998 110.883 179.891 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 52' ' ' ARG . . . . . . . . . . . . . 19.0 tpt180 . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.911 0.386 . . . . 45.880000000000003 111.217 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 53' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -62.55 88.99 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 41.789999999999999 110.887 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 53.5 m-20 -51.81 -29.76 20.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 41.219999999999999 110.868 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.35 -43.26 99.18 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.421 -0.354 . . . . 35.810000000000002 110.808 179.759 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -65.61 -51.22 61.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.127 -0.488 . . . . 30.949999999999999 110.462 179.58 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 57' ' ' ARG . . . . . . . . . . . . . 46.8 mtp180 -62.23 -44.92 95.46 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.881 -0.6 . . . . 38.829999999999998 110.396 179.484 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 58' ' ' LEU . . . . . 0.449 HD23 ' HA ' ' C' ' 58' ' ' LEU . 13.8 mt -56.19 -50.09 72.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.748 -0.66 . . . . 28.440000000000001 110.705 179.727 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.16 -37.74 48.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.089 -0.505 . . . . 20.91 110.94 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.49 -34.68 65.42 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.138 -0.483 . . . . 18.98 110.795 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -69.9 -47.3 63.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.476 . . . . 21.219999999999999 110.811 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 62' ' ' GLN . . . . . 0.485 ' HA ' HD12 ' C' ' 65' ' ' LEU . 46.4 mm-40 -60.0 -41.02 91.2 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.018 -0.537 . . . . 24.079999999999998 110.734 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 63' ' ' SER . . . . . . . . . . . . . 59.9 m -67.13 -32.1 73.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 17.239999999999998 110.902 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -60.03 -49.64 76.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.216 -0.447 . . . . 26.84 110.624 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 65' ' ' LEU . . . . . 0.485 HD12 ' HA ' ' C' ' 62' ' ' GLN . 3.6 mt -56.05 -44.86 79.25 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.053 -0.522 . . . . 19.050000000000001 110.754 179.834 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 66' ' ' VAL . . . . . 0.431 ' O ' ' HG2' ' C' ' 69' ' ' MET . 67.6 t -68.24 -46.49 80.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.211 -0.449 . . . . 15.25 110.85 179.779 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 67' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.03 -25.19 67.73 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.239 -0.437 . . . . 9.0899999999999999 110.476 179.5 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 68' ' ' LYS . . . . . . . . . . . . . 13.8 ttpt -79.14 -42.58 25.87 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.074 -0.512 . . . . 13.789999999999999 110.775 179.751 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 69' ' ' MET . . . . . 0.462 ' HE1' HG21 ' A' ' 73' ' ' THR . 7.9 ptt? -66.85 -27.0 67.18 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.318 -0.401 . . . . 8.7300000000000004 110.748 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 70' ' ' VAL . . . . . 0.407 HG23 ' O ' ' C' ' 66' ' ' VAL . 62.7 t -78.25 -43.81 27.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.179 -0.464 . . . . 9.1400000000000006 110.604 179.604 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 71' ' ' PHE . . . . . 0.42 ' O ' ' CB ' ' C' ' 75' ' ' LYS . 35.7 t80 -50.08 -58.51 5.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.289 -0.414 . . . . 14.75 110.487 179.705 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -54.85 -45.61 74.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 12.550000000000001 110.272 179.541 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 73' ' ' THR . . . . . 0.456 HG21 ' HE2' ' A' ' 69' ' ' MET . 19.2 m -61.03 -68.96 0.26 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.028 -0.533 . . . . 10.630000000000001 110.456 179.649 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 74' ' ' LEU . . . . . 0.454 ' CD1' ' HB3' ' D' ' 62' ' ' GLN . 14.3 mt -52.3 -38.9 59.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 13.17 111.076 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 75' ' ' LYS . . . . . 0.42 ' CB ' ' O ' ' C' ' 71' ' ' PHE . 14.0 tttt -54.48 -68.61 0.17 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.2 -0.455 . . . . 14.65 110.201 179.412 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 76' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -62.56 -29.41 70.56 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.618 -0.719 . . . . 17.870000000000001 110.906 179.735 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 77' ' ' LEU . . . . . 0.612 ' C ' HD12 ' C' ' 77' ' ' LEU . 0.7 OUTLIER -65.01 -61.04 2.39 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.426 -0.352 . . . . 21.27 110.612 179.921 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' C' C ' 78' ' ' TYR . . . . . 0.53 ' CZ ' HG21 ' B' ' 73' ' ' THR . 20.9 m-85 -56.49 -26.47 54.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.954 0.406 . . . . 26.140000000000001 110.578 179.678 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.85 -28.5 68.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.075 -0.511 . . . . 24.649999999999999 110.692 179.742 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.25 -42.51 98.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.172 -0.467 . . . . 29.219999999999999 110.915 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 81' ' ' THR . . . . . . . . . . . . . 71.4 p -63.69 -76.62 0.06 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.126 -0.488 . . . . 33.509999999999998 110.833 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 82' ' ' THR . . . . . . . . . . . . . 1.2 t . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.238 -0.887 . . . . 37.43 110.864 -179.993 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' D' D ' 52' ' ' ARG . . . . . . . . . . . . . 15.8 mtp180 . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.866 0.365 . . . . 47.240000000000002 111.147 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' D' D ' 53' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -174.71 -177.32 1.14 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.133 -0.485 . . . . 38.560000000000002 110.825 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -54.99 -36.17 65.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 32.859999999999999 111.058 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 55' ' ' ALA . . . . . . . . . . . . . . . -51.98 -41.44 62.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 29.489999999999998 110.894 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -70.0 -50.75 38.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.056 -0.52 . . . . 33.109999999999999 110.755 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 57' ' ' ARG . . . . . . . . . . . . . 6.1 mtt180 -58.76 -38.77 79.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 26.780000000000001 110.697 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 58' ' ' LEU . . . . . 0.842 HD22 HG23 ' B' ' 73' ' ' THR . 60.7 mt -63.75 -60.25 3.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.069 -0.514 . . . . 22.18 110.719 179.737 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 59' ' ' ALA . . . . . 0.421 ' O ' ' CB ' ' D' ' 63' ' ' SER . . . -48.14 -28.1 2.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.742 -0.663 . . . . 20.039999999999999 111.174 179.83 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 60' ' ' ASP . . . . . . . . . . . . . 62.5 t0 -73.84 -62.02 1.64 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.103 -0.499 . . . . 18.390000000000001 110.817 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 61' ' ' GLU . . . . . 0.718 ' OE2' HD23 ' D' ' 58' ' ' LEU . 10.4 pt-20 -57.56 -41.37 80.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.44 -0.346 . . . . 11.779999999999999 110.536 179.742 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 62' ' ' GLN . . . . . 0.598 ' O ' HG23 ' D' ' 66' ' ' VAL . 0.0 OUTLIER -67.44 -39.74 85.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 10.67 110.966 179.785 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' D' D ' 63' ' ' SER . . . . . 0.421 ' CB ' ' O ' ' D' ' 59' ' ' ALA . 78.8 p -70.86 -56.81 5.47 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.327 -0.397 . . . . 16.510000000000002 110.755 179.816 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 64' ' ' GLU . . . . . . . . . . . . . 23.0 pt-20 -50.95 -35.49 33.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 17.09 110.738 179.807 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 65' ' ' LEU . . . . . 0.411 ' HB2' ' O ' ' D' ' 61' ' ' GLU . 3.7 tt -61.76 -43.5 98.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.13 -0.486 . . . . 9.6400000000000006 110.682 179.669 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 66' ' ' VAL . . . . . 0.598 HG23 ' O ' ' D' ' 62' ' ' GLN . 11.0 t -57.71 -42.3 81.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.249 -0.432 . . . . 8.0999999999999996 111.034 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 67' ' ' LYS . . . . . . . . . . . . . 8.2 tttp -54.71 -57.89 9.72 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.062 -0.517 . . . . 12.67 110.78 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 68' ' ' LYS . . . . . . . . . . . . . 1.5 mptt -52.61 -38.14 59.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 8.6600000000000001 110.784 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 69' ' ' MET . . . . . . . . . . . . . 16.7 ttp -67.03 -49.98 63.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 11.26 110.868 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 70' ' ' VAL . . . . . . . . . . . . . 77.4 t -72.65 -24.91 21.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.02 -0.537 . . . . 10.789999999999999 111.355 -179.606 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -59.81 -49.45 77.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.782 0.325 . . . . 17.82 110.698 179.751 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -64.29 -45.64 87.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 24.57 110.559 179.72 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 73' ' ' THR . . . . . 0.863 HG23 HD22 ' B' ' 58' ' ' LEU . 52.5 m -51.77 -50.66 60.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 24.079999999999998 110.791 179.73 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 74' ' ' LEU . . . . . 0.482 HD13 ' HB2' ' C' ' 62' ' ' GLN . 35.9 mt -61.89 -41.43 97.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 27.09 110.859 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 75' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -49.91 -39.07 38.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.937 0.399 . . . . 28.030000000000001 110.65 179.835 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 76' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -81.08 -34.71 32.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.94 -0.573 . . . . 28.030000000000001 110.615 179.712 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 77' ' ' LEU . . . . . 0.495 HD11 ' CD1' ' A' ' 78' ' ' TYR . 19.0 mt -59.0 -42.6 90.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.036 -0.529 . . . . 28.289999999999999 110.705 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 78' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -78.97 -47.13 16.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 33.649999999999999 110.81 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 79' ' ' LYS . . . . . . . . . . . . . 12.4 ttpt -53.33 -27.29 22.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.076 -0.511 . . . . 43.789999999999999 111.1 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 80' ' ' LYS . . . . . . . . . . . . . 10.6 mttm -77.27 -17.6 58.25 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.272 -0.422 . . . . 41.140000000000001 111.362 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 81' ' ' THR . . . . . 0.455 HG23 ' O ' ' D' ' 81' ' ' THR . 4.0 t -152.15 92.74 1.74 Allowed 'General case' 0 N--CA 1.455 -0.209 0 CA-C-O 120.781 0.324 . . . . 39.689999999999998 110.964 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 82' ' ' THR . . . . . . . . . . . . . 26.7 p . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.174 -0.917 . . . . 47.420000000000002 110.839 179.908 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.778 0.323 . . . . 47.719999999999999 111.207 . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -136.52 82.41 1.94 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 36.359999999999999 111.056 -179.901 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -61.15 -35.75 77.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.266 -0.425 . . . . 36.579999999999998 110.738 179.804 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.571 ' HB1' ' HB3' ' B' ' 78' ' ' TYR . . . -63.0 -44.38 96.18 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.183 -0.462 . . . . 30.5 110.637 179.694 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.6 -49.24 69.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 26.82 110.31 179.523 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 1.4 tmm_? -62.67 -45.13 94.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.95 -0.568 . . . . 27.690000000000001 110.088 179.339 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.445 HD23 ' HA ' ' A' ' 58' ' ' LEU . 14.9 mt -57.15 -47.23 81.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.686 -0.688 . . . . 26.010000000000002 110.574 179.494 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -52.84 -33.79 51.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.047 -0.524 . . . . 23.73 110.811 179.839 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -79.48 -27.04 41.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 26.219999999999999 110.696 179.868 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -70.72 -52.86 18.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.434 . . . . 28.309999999999999 110.72 179.874 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.811 ' HA ' HD12 ' A' ' 65' ' ' LEU . 0.4 OUTLIER -61.69 -39.58 91.97 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.962 -0.563 . . . . 20.5 110.363 179.681 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 66.5 m -62.71 -32.79 73.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.0 -0.545 . . . . 16.030000000000001 110.603 179.769 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -64.08 -43.07 96.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.102 -0.499 . . . . 18.620000000000001 110.61 179.71 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.811 HD12 ' HA ' ' A' ' 62' ' ' GLN . 3.6 mt -59.9 -33.1 71.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 15.300000000000001 110.505 179.68 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 49.0 t -74.4 -46.8 42.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.981 -0.554 . . . . 10.449999999999999 110.944 179.805 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 10.5 tttm -61.39 -45.1 95.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 19.670000000000002 110.628 179.803 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.1 mtmm -62.57 -33.87 75.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.145 -0.48 . . . . 20.129999999999999 110.605 179.842 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 36.4 ttp -71.22 -38.6 71.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.109 -0.496 . . . . 7.7400000000000002 110.67 179.853 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 55.4 t -71.89 -41.5 69.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.487 . . . . 3.98 110.851 179.779 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.433 ' O ' ' CB ' ' A' ' 75' ' ' LYS . 33.2 t80 -53.55 -60.69 2.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.47 -0.332 . . . . 11.85 110.536 179.895 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.49 -42.79 61.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.43 -0.35 . . . . 7.71 110.577 179.812 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 17.8 m -65.64 -71.94 0.17 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.222 -0.445 . . . . 13.75 110.322 179.651 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.726 HD12 ' HB2' ' B' ' 62' ' ' GLN . 15.1 mt -49.94 -35.09 22.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.089 -0.505 . . . . 18.66 111.12 -179.969 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.433 ' CB ' ' O ' ' A' ' 71' ' ' PHE . 12.2 tttt -54.17 -71.36 0.08 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.146 0.498 . . . . 19.920000000000002 110.198 179.241 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.44 -30.11 69.44 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.677 -0.692 . . . . 14.609999999999999 110.763 179.636 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.628 ' C ' HD12 ' A' ' 77' ' ' LEU . 0.6 OUTLIER -65.29 -66.47 0.54 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.361 -0.381 . . . . 19.41 110.695 179.96 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.61 ' OH ' HG13 ' D' ' 70' ' ' VAL . 19.1 m-85 -54.09 -23.36 13.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.324 -0.398 . . . . 25.109999999999999 110.887 179.85 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 4.7 mmtp -74.86 -29.14 60.94 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.348 -0.387 . . . . 27.190000000000001 110.533 179.823 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.05 -33.82 70.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.025 -0.534 . . . . 28.710000000000001 110.963 179.924 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -56.76 -50.44 72.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 33.560000000000002 110.778 -179.96 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.402 ' H ' HG23 ' A' ' 82' ' ' THR . 4.2 p . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.242 -0.885 . . . . 38.5 110.916 179.941 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 12.7 mmt180 . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.827 0.346 . . . . 43.729999999999997 111.199 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -118.16 24.32 11.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 40.890000000000001 111.023 179.978 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.6 -25.55 68.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.291 -0.413 . . . . 34.450000000000003 110.802 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.31 -56.24 22.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.293 -0.412 . . . . 33.93 110.712 179.754 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.49 -38.94 91.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.039 -0.528 . . . . 32.020000000000003 110.393 179.5 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 10.5 ttm180 -65.89 -33.61 76.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.091 -0.504 . . . . 27.5 110.088 179.344 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 58' ' ' LEU . . . . . 0.433 HD22 HG23 ' D' ' 73' ' ' THR . 11.5 mt -66.08 -58.69 4.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.819 -0.628 . . . . 19.52 110.737 179.829 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -46.35 -37.66 7.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.905 -0.589 . . . . 17.620000000000001 110.936 179.825 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.52 -48.32 81.22 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.896 -0.593 . . . . 23.309999999999999 110.36 179.579 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -66.42 -32.4 73.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.974 -0.557 . . . . 15.76 110.375 179.635 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 62' ' ' GLN . . . . . 0.726 ' HB2' HD12 ' A' ' 74' ' ' LEU . 15.0 mm-40 -71.29 -44.78 64.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.069 -0.514 . . . . 14.880000000000001 110.481 179.461 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 1.3 m -61.7 -55.83 26.14 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.121 -0.49 . . . . 14.26 110.673 179.858 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 20.4 pt-20 -51.08 -33.25 25.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.051 -0.522 . . . . 12.630000000000001 110.675 179.741 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.05 -42.55 94.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 5.79 110.569 179.694 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 66' ' ' VAL . . . . . 0.54 HG23 ' O ' ' B' ' 62' ' ' GLN . 3.6 t -64.16 -37.86 80.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.228 -0.442 . . . . 7.4100000000000001 111.038 179.849 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 25.3 ttmt -54.96 -61.99 1.95 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.103 -0.499 . . . . 19.77 110.883 179.961 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 1.4 tttm -50.83 -36.57 38.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.134 -0.485 . . . . 14.869999999999999 110.743 179.852 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 69' ' ' MET . . . . . . . . . . . . . 30.2 ttp -67.65 -49.56 62.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.991 -0.55 . . . . 12.83 110.963 -179.92 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.615 HG13 ' OH ' ' C' ' 78' ' ' TYR . 66.5 t -74.84 -23.67 17.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 15.49 111.211 -179.876 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 18.1 t80 -65.5 -35.47 80.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.307 -0.406 . . . . 24.510000000000002 110.663 179.814 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -74.83 -45.09 45.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.054 -0.521 . . . . 27.98 110.719 179.831 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 73' ' ' THR . . . . . 0.441 HG23 HD22 ' D' ' 58' ' ' LEU . 58.2 m -57.86 -53.76 54.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 20.530000000000001 110.9 179.856 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 74' ' ' LEU . . . . . 0.543 HD23 HD12 ' B' ' 77' ' ' LEU . 56.5 mt -55.82 -41.03 73.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.267 -0.424 . . . . 22.390000000000001 110.839 179.951 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.13 -47.48 45.43 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.03 0.443 . . . . 29.210000000000001 110.742 179.783 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -71.83 -33.45 68.49 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.854 -0.612 . . . . 31.510000000000002 110.666 179.679 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.543 HD12 HD23 ' B' ' 74' ' ' LEU . 16.2 mt -62.37 -49.41 75.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.063 -0.517 . . . . 30.800000000000001 110.893 179.842 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 78' ' ' TYR . . . . . 0.571 ' HB3' ' HB1' ' A' ' 55' ' ' ALA . 23.1 m-85 -76.17 -29.69 57.81 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.153 -0.476 . . . . 33.75 110.826 179.98 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 17.6 tppt? -59.04 -27.25 65.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 38.479999999999997 110.937 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 4.9 mttm -55.29 -84.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 42.390000000000001 110.777 179.949 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 81' ' ' THR . . . . . 0.538 HG23 ' O ' ' B' ' 81' ' ' THR . 7.6 t -72.71 76.46 1.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 41.969999999999999 110.886 -179.982 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.224 -0.894 . . . . 49.390000000000001 110.958 179.962 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.404 0 CA-C-O 120.828 0.347 . . . . 46.140000000000001 111.114 . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 53' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -136.58 82.24 1.93 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 41.119999999999997 111.008 -179.983 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -61.05 -35.69 77.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.262 -0.426 . . . . 41.780000000000001 110.671 179.794 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 55' ' ' ALA . . . . . 0.645 ' HB1' ' HB3' ' D' ' 78' ' ' TYR . . . -63.12 -44.34 95.89 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.216 -0.447 . . . . 35.520000000000003 110.657 179.683 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.61 -49.38 68.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.09 -0.505 . . . . 30.469999999999999 110.264 179.587 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 57' ' ' ARG . . . . . . . . . . . . . 1.4 tmm_? -62.5 -44.96 95.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.85 -0.614 . . . . 38.479999999999997 110.144 179.342 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 58' ' ' LEU . . . . . 0.459 ' HA ' HD23 ' C' ' 58' ' ' LEU . 15.0 mt -57.33 -47.28 81.96 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.653 -0.703 . . . . 30.300000000000001 110.604 179.533 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 59' ' ' ALA . . . . . 0.407 ' HA ' HD13 ' D' ' 74' ' ' LEU . . . -52.84 -33.82 51.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.973 -0.558 . . . . 21.559999999999999 110.864 179.869 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -79.25 -27.23 42.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.093 -0.503 . . . . 19.77 110.716 179.822 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -70.64 -52.96 17.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 20.539999999999999 110.705 179.913 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 62' ' ' GLN . . . . . 0.791 ' HA ' HD12 ' C' ' 65' ' ' LEU . 0.4 OUTLIER -61.75 -39.3 91.11 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.997 -0.547 . . . . 22.870000000000001 110.425 179.721 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' C' C ' 63' ' ' SER . . . . . . . . . . . . . 67.2 m -62.83 -32.88 74.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.982 -0.553 . . . . 17.77 110.569 179.654 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -63.94 -43.16 96.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 26.07 110.625 179.75 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 65' ' ' LEU . . . . . 0.791 HD12 ' HA ' ' C' ' 62' ' ' GLN . 3.6 mt -59.87 -33.1 71.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 19.91 110.508 179.608 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 66' ' ' VAL . . . . . . . . . . . . . 49.1 t -74.32 -46.59 43.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.037 -0.528 . . . . 14.44 111.032 179.729 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 67' ' ' LYS . . . . . . . . . . . . . 10.6 tttm -61.69 -44.92 96.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 7.8499999999999996 110.699 179.793 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 68' ' ' LYS . . . . . . . . . . . . . 1.1 mtmm -62.67 -33.77 75.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 14.539999999999999 110.626 179.833 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 69' ' ' MET . . . . . . . . . . . . . 37.1 ttp -71.32 -38.65 71.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.021 -0.536 . . . . 8.7100000000000009 110.677 179.845 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 52.9 t -71.83 -41.35 69.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.072 -0.513 . . . . 9.1300000000000008 110.699 179.841 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 71' ' ' PHE . . . . . 0.437 ' O ' ' CB ' ' C' ' 75' ' ' LYS . 33.2 t80 -53.71 -60.79 2.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.49 -0.323 . . . . 17.829999999999998 110.537 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.41 -42.84 61.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.423 -0.353 . . . . 14.609999999999999 110.62 179.863 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 73' ' ' THR . . . . . . . . . . . . . 18.1 m -65.63 -71.81 0.18 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 9.2799999999999994 110.346 179.568 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 74' ' ' LEU . . . . . 0.699 HD12 ' HB2' ' D' ' 62' ' ' GLN . 14.3 mt -49.9 -35.26 23.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 13.029999999999999 111.025 -179.968 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 75' ' ' LYS . . . . . 0.437 ' CB ' ' O ' ' C' ' 71' ' ' PHE . 12.3 tttt -54.29 -71.44 0.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.223 -0.444 . . . . 16.329999999999998 110.085 179.355 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 76' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.32 -30.11 69.3 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.747 -0.66 . . . . 18.870000000000001 110.779 179.691 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 77' ' ' LEU . . . . . 0.628 ' C ' HD12 ' C' ' 77' ' ' LEU . 0.7 OUTLIER -65.45 -66.44 0.55 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.371 -0.377 . . . . 21.510000000000002 110.64 179.955 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' C' C ' 78' ' ' TYR . . . . . 0.615 ' OH ' HG13 ' B' ' 70' ' ' VAL . 19.1 m-85 -54.1 -23.37 13.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.467 -0.333 . . . . 27.579999999999998 110.831 179.905 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 4.7 mmtp -74.7 -29.3 61.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.921 0.391 . . . . 24.77 110.597 179.765 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.1 -33.6 70.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.993 -0.548 . . . . 29.899999999999999 110.958 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -56.86 -50.41 72.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 33.950000000000003 110.819 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 82' ' ' THR . . . . . . . . . . . . . 4.3 p . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.204 -0.903 . . . . 37.880000000000003 110.976 179.91 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' D' D ' 52' ' ' ARG . . . . . . . . . . . . . 12.7 mmt180 . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.817 0.341 . . . . 41.450000000000003 111.247 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' D' D ' 53' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -118.22 24.51 10.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 37.0 110.984 -179.963 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.7 -25.61 68.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.299 -0.409 . . . . 32.039999999999999 110.864 179.86 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' D' D ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.39 -56.36 21.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 28.73 110.603 179.808 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.31 -39.04 91.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.018 -0.537 . . . . 34.289999999999999 110.316 179.595 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' D' D ' 57' ' ' ARG . . . . . . . . . . . . . 10.4 ttm180 -65.77 -33.74 76.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.098 -0.501 . . . . 25.27 110.148 179.389 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 58' ' ' LEU . . . . . 0.441 HD22 HG23 ' B' ' 73' ' ' THR . 11.5 mt -65.91 -58.96 4.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.822 -0.626 . . . . 22.129999999999999 110.729 179.805 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' D' D ' 59' ' ' ALA . . . . . . . . . . . . . . . -46.11 -37.76 7.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.877 -0.601 . . . . 20.280000000000001 110.948 179.817 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.55 -47.99 82.38 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.897 -0.592 . . . . 22.66 110.337 179.531 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' D' D ' 61' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -66.81 -31.99 72.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.076 -0.511 . . . . 15.58 110.333 179.546 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 62' ' ' GLN . . . . . 0.699 ' HB2' HD12 ' C' ' 74' ' ' LEU . 15.5 mm-40 -71.59 -44.42 64.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.112 -0.495 . . . . 10.109999999999999 110.479 179.464 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' D' D ' 63' ' ' SER . . . . . . . . . . . . . 1.3 m -62.19 -55.87 24.34 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.04 -0.527 . . . . 15.800000000000001 110.629 179.884 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 64' ' ' GLU . . . . . . . . . . . . . 20.4 pt-20 -51.14 -33.32 26.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.106 -0.497 . . . . 15.880000000000001 110.649 179.815 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 65' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -64.98 -42.46 94.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 10.109999999999999 110.587 179.678 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' D' D ' 66' ' ' VAL . . . . . 0.54 HG23 ' O ' ' D' ' 62' ' ' GLN . 3.6 t -64.28 -37.91 81.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.208 -0.451 . . . . 7.5599999999999996 111.06 179.884 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' D' D ' 67' ' ' LYS . . . . . . . . . . . . . 25.3 ttmt -54.82 -61.94 1.98 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.037 -0.528 . . . . 8.2300000000000004 110.809 179.962 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 68' ' ' LYS . . . . . . . . . . . . . 1.3 tttm -50.9 -36.1 36.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 10.380000000000001 110.829 179.89 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 69' ' ' MET . . . . . . . . . . . . . 29.2 ttp -68.13 -49.34 61.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.005 -0.543 . . . . 11.539999999999999 111.01 -179.922 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 70' ' ' VAL . . . . . 0.61 HG13 ' OH ' ' A' ' 78' ' ' TYR . 61.5 t -74.86 -23.81 17.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.275 -0.42 . . . . 11.609999999999999 111.194 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 18.1 t80 -65.45 -35.53 81.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.924 0.393 . . . . 18.170000000000002 110.651 179.879 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -74.74 -45.08 46.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.11 -0.495 . . . . 25.010000000000002 110.751 179.821 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 73' ' ' THR . . . . . 0.433 HG23 HD22 ' B' ' 58' ' ' LEU . 57.2 m -58.04 -53.61 56.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.105 -0.498 . . . . 25.050000000000001 110.886 179.95 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' D' D ' 74' ' ' LEU . . . . . 0.519 HD23 HD12 ' D' ' 77' ' ' LEU . 54.6 mt -55.97 -40.72 73.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.291 -0.413 . . . . 26.399999999999999 110.792 -179.982 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' D' D ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.45 -47.49 48.22 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.258 -0.428 . . . . 27.300000000000001 110.703 179.822 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' D' D ' 76' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -71.77 -33.43 68.61 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.852 -0.613 . . . . 28.030000000000001 110.647 179.748 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 77' ' ' LEU . . . . . 0.519 HD12 HD23 ' D' ' 74' ' ' LEU . 16.2 mt -62.46 -49.58 74.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.027 -0.533 . . . . 28.77 110.812 179.837 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' D' D ' 78' ' ' TYR . . . . . 0.645 ' HB3' ' HB1' ' C' ' 55' ' ' ALA . 22.9 m-85 -75.9 -29.79 58.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.267 -0.424 . . . . 32.799999999999997 110.912 180.0 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' D' D ' 79' ' ' LYS . . . . . . . . . . . . . 17.6 tppt? -58.82 -27.67 65.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.127 -0.488 . . . . 43.75 110.888 179.972 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 80' ' ' LYS . . . . . . . . . . . . . 4.7 mttm -55.03 -83.73 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.187 -0.46 . . . . 41.060000000000002 110.888 179.987 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 81' ' ' THR . . . . . 0.53 HG23 ' O ' ' D' ' 81' ' ' THR . 7.6 t -73.1 76.56 1.24 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.27 -0.423 . . . . 40.619999999999997 110.944 179.971 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' D' D ' 82' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.126 0 CA-C-O 118.162 -0.923 . . . . 48.289999999999999 110.884 -179.966 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.487 1.422 0 CA-C-O 120.743 0.306 . . . . 44.539999999999999 111.214 . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -154.8 87.08 1.14 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.319 -0.4 . . . . 40.079999999999998 111.11 -179.951 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -55.96 -32.96 64.35 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.315 -0.402 . . . . 41.32 110.844 179.805 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.25 -45.93 91.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.318 -0.401 . . . . 35.039999999999999 110.734 179.803 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -63.98 -51.67 63.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 29.940000000000001 110.51 179.625 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 44.3 mtp180 -61.48 -44.42 97.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.01 -0.541 . . . . 37.840000000000003 110.265 179.558 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.473 HD23 ' HA ' ' A' ' 58' ' ' LEU . 10.7 mt -54.07 -51.41 64.2 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.813 -0.63 . . . . 30.02 110.451 179.675 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.478 ' HA ' HD13 ' B' ' 74' ' ' LEU . . . -51.69 -34.18 37.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 21.260000000000002 110.676 179.669 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.2 -29.55 66.42 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.079 -0.51 . . . . 17.899999999999999 110.504 179.659 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.67 -47.05 27.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.1 -0.5 . . . . 19.789999999999999 110.618 179.796 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.556 ' HA ' HD12 ' A' ' 65' ' ' LEU . 49.1 mm-40 -55.33 -49.72 71.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.956 -0.565 . . . . 22.66 110.608 179.735 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.2 m -59.24 -36.91 76.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.116 -0.493 . . . . 17.73 110.571 179.699 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.421 ' O ' ' HG2' ' A' ' 67' ' ' LYS . 2.8 tt0 -58.03 -28.88 64.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.043 -0.526 . . . . 25.280000000000001 110.539 179.783 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.556 HD12 ' HA ' ' A' ' 62' ' ' GLN . 10.8 mt -77.26 -32.56 55.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.09 -0.504 . . . . 19.93 110.239 179.493 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 43.3 t -78.6 -40.86 24.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.902 -0.59 . . . . 14.550000000000001 110.763 179.624 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.421 ' HG2' ' O ' ' A' ' 64' ' ' GLU . 10.3 ptmt -61.75 -44.79 96.21 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.109 -0.496 . . . . 7.9800000000000004 110.486 179.846 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.44 ' HG3' ' N ' ' A' ' 69' ' ' MET . 2.7 pttp -62.26 -41.34 98.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.07 -0.514 . . . . 14.529999999999999 110.445 179.662 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.666 ' HE2' HG21 ' C' ' 73' ' ' THR . 27.7 ttp -62.81 -39.6 94.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.081 -0.509 . . . . 9.0700000000000003 110.34 179.494 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 65.2 t -71.54 -42.23 72.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.899 -0.591 . . . . 9.0299999999999994 110.553 179.569 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.426 ' O ' ' CB ' ' A' ' 75' ' ' LYS . 50.7 t80 -53.41 -60.1 3.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.314 -0.403 . . . . 17.57 110.305 179.681 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -51.83 -44.93 63.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.254 -0.43 . . . . 14.09 110.461 179.753 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.638 HG21 ' HE2' ' C' ' 69' ' ' MET . 19.6 m -64.92 -70.56 0.22 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 9.0700000000000003 110.348 179.638 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.734 HD12 ' HB2' ' B' ' 62' ' ' GLN . 12.3 mt -49.31 -35.23 17.56 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.144 -0.48 . . . . 12.869999999999999 111.013 179.921 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.426 ' CB ' ' O ' ' A' ' 71' ' ' PHE . 5.5 tttp -54.53 -70.51 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.099 -0.501 . . . . 16.02 110.292 179.667 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -61.98 -25.17 67.47 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.799 -0.637 . . . . 18.559999999999999 110.95 179.87 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.862 ' O ' HD12 ' A' ' 77' ' ' LEU . 0.8 OUTLIER -72.19 -44.28 63.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.397 -0.365 . . . . 21.43 110.978 -179.752 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.515 ' OH ' HG13 ' D' ' 70' ' ' VAL . 14.8 m-85 -72.65 -24.09 61.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.859 0.362 . . . . 27.329999999999998 110.77 179.703 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -74.91 -30.85 61.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 24.52 110.346 179.512 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 12.1 tttm -71.32 -33.26 69.5 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.943 -0.572 . . . . 29.699999999999999 110.796 179.807 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -55.54 -76.95 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 33.710000000000001 110.893 179.864 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 8.6 t . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.155 -0.926 . . . . 39.729999999999997 110.871 -179.919 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 8.1 mtt180 . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.814 0.34 . . . . 47.579999999999998 111.186 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 176.05 179.5 0.17 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 38.700000000000003 111.043 179.862 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.75 -21.69 62.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 32.75 111.179 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.48 -46.44 86.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.414 -0.357 . . . . 29.280000000000001 111.176 179.994 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.34 -55.76 14.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 33.299999999999997 110.98 -179.86 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 20.3 mmt180 -49.81 -31.91 12.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 26.059999999999999 111.054 -179.927 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 58' ' ' LEU . . . . . 0.687 HD22 HG23 ' D' ' 73' ' ' THR . 20.5 mt -69.75 -60.52 2.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 22.420000000000002 111.159 -179.973 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -44.33 -28.9 0.59 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.004 -0.544 . . . . 20.670000000000002 111.353 -179.854 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -73.96 -45.67 48.77 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.101 -0.499 . . . . 22.100000000000001 110.749 179.761 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -61.77 -33.5 74.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.264 -0.426 . . . . 13.25 110.766 179.833 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 62' ' ' GLN . . . . . 0.734 ' HB2' HD12 ' A' ' 74' ' ' LEU . 3.9 mm-40 -70.79 -50.1 39.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.193 -0.458 . . . . 10.43 110.747 179.833 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 1.3 m -51.54 -58.0 7.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.283 -0.417 . . . . 16.190000000000001 110.534 179.872 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 64' ' ' GLU . . . . . 0.4 ' HG3' ' N ' ' B' ' 65' ' ' LEU . 8.8 pt-20 -52.38 -33.48 43.51 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 116.106 -0.497 . . . . 16.140000000000001 110.554 179.709 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 65' ' ' LEU . . . . . 0.4 ' N ' ' HG3' ' B' ' 64' ' ' GLU . 0.2 OUTLIER -69.66 -45.59 68.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.992 -0.549 . . . . 9.7599999999999998 110.622 179.797 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' B' B ' 66' ' ' VAL . . . . . 0.61 HG23 ' O ' ' B' ' 62' ' ' GLN . 17.8 t -63.63 -33.88 64.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.154 -0.475 . . . . 7.5199999999999996 111.028 179.821 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.62 -56.04 24.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 8.4499999999999993 110.815 179.914 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.94 -35.43 61.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.224 -0.443 . . . . 11.73 110.724 179.799 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 69' ' ' MET . . . . . . . . . . . . . 35.6 ttp -67.1 -50.71 60.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.114 -0.494 . . . . 11.51 110.867 179.979 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.518 HG13 ' OH ' ' C' ' 78' ' ' TYR . 51.4 t -74.27 -24.26 18.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.03 -0.532 . . . . 11.48 111.213 -179.891 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -60.74 -45.78 92.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.266 -0.424 . . . . 17.940000000000001 110.698 179.723 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -69.23 -40.86 77.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 25.190000000000001 110.59 179.813 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 73' ' ' THR . . . . . 0.667 HG23 HD22 ' D' ' 58' ' ' LEU . 52.9 m -57.06 -45.92 82.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.453 . . . . 24.890000000000001 110.661 179.782 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 74' ' ' LEU . . . . . 0.478 HD13 ' HA ' ' A' ' 59' ' ' ALA . 68.7 mt -64.46 -37.73 88.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.487 . . . . 26.699999999999999 110.827 179.83 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 2.2 ttpt -51.69 -41.69 61.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 27.190000000000001 110.52 179.806 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -77.01 -35.12 57.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.998 -0.546 . . . . 27.91 110.491 179.568 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.446 HD11 ' CD1' ' C' ' 78' ' ' TYR . 13.7 mt -58.88 -49.91 75.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.993 -0.549 . . . . 28.969999999999999 110.744 179.664 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -76.23 -42.04 47.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.048 -0.524 . . . . 33.310000000000002 110.9 179.908 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 8.9 tttp -57.3 -38.61 74.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.494 . . . . 45.57 110.963 -179.964 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 45.2 tttp -54.02 -68.77 0.15 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.287 -0.415 . . . . 41.539999999999999 110.735 179.885 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 81' ' ' THR . . . . . 0.484 HG23 ' O ' ' B' ' 81' ' ' THR . 5.7 t -74.62 76.5 2.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 40.960000000000001 110.877 179.956 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.511 HG23 ' OXT' ' B' ' 82' ' ' THR . 14.3 t . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.18 -0.914 . . . . 48.780000000000001 110.879 -179.962 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.819 0.343 . . . . 45.619999999999997 111.183 . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 53' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -155.09 87.51 1.13 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 35.460000000000001 111.008 179.976 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -56.41 -32.88 65.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 36.369999999999997 110.774 179.918 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.16 -45.83 91.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.319 -0.401 . . . . 30.260000000000002 110.732 179.719 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -64.23 -51.53 63.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.092 -0.504 . . . . 26.52 110.589 179.691 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 57' ' ' ARG . . . . . . . . . . . . . 43.7 mtp180 -61.61 -44.39 97.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.995 -0.548 . . . . 26.34 110.275 179.517 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 58' ' ' LEU . . . . . 0.478 ' HA ' HD23 ' C' ' 58' ' ' LEU . 10.7 mt -53.88 -51.48 63.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.766 -0.652 . . . . 25.82 110.535 179.633 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.68 -34.26 37.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.093 -0.503 . . . . 23.66 110.683 179.785 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.92 -29.98 67.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.053 -0.521 . . . . 25.289999999999999 110.578 179.657 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.27 -47.18 29.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.999 -0.546 . . . . 26.739999999999998 110.586 179.792 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 62' ' ' GLN . . . . . 0.539 ' HA ' HD12 ' C' ' 65' ' ' LEU . 49.4 mm-40 -55.11 -50.01 70.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.95 -0.568 . . . . 20.48 110.533 179.734 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 63' ' ' SER . . . . . 0.437 ' CB ' ' HG2' ' D' ' 67' ' ' LYS . 1.2 m -59.02 -36.92 75.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.113 -0.494 . . . . 15.84 110.679 179.666 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 64' ' ' GLU . . . . . 0.421 ' O ' ' HG2' ' C' ' 67' ' ' LYS . 2.8 tt0 -58.05 -28.8 64.85 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.058 -0.519 . . . . 18.960000000000001 110.56 179.746 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 65' ' ' LEU . . . . . 0.539 HD12 ' HA ' ' C' ' 62' ' ' GLN . 11.0 mt -77.31 -32.63 55.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.032 -0.531 . . . . 15.19 110.191 179.559 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 66' ' ' VAL . . . . . . . . . . . . . 43.4 t -78.59 -40.9 24.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.891 -0.595 . . . . 10.51 110.788 179.605 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 67' ' ' LYS . . . . . 0.421 ' HG2' ' O ' ' C' ' 64' ' ' GLU . 10.2 ptmt -61.56 -44.77 96.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 20.07 110.59 179.719 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 68' ' ' LYS . . . . . 0.434 ' HG3' ' N ' ' C' ' 69' ' ' MET . 2.7 pttp -62.38 -41.37 98.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.107 -0.497 . . . . 18.34 110.45 179.581 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 69' ' ' MET . . . . . 0.638 ' HE2' HG21 ' A' ' 73' ' ' THR . 28.2 ttp -62.74 -39.63 94.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.061 -0.518 . . . . 7.8799999999999999 110.248 179.542 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 68.4 t -71.58 -42.35 71.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.962 -0.563 . . . . 3.8500000000000001 110.528 179.625 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 71' ' ' PHE . . . . . 0.423 ' O ' ' CB ' ' C' ' 75' ' ' LYS . 50.9 t80 -53.23 -60.38 3.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.301 -0.409 . . . . 12.6 110.284 179.682 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -51.57 -44.91 62.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 7.75 110.5 179.764 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 73' ' ' THR . . . . . 0.666 HG21 ' HE2' ' A' ' 69' ' ' MET . 19.5 m -64.98 -70.64 0.22 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.11 -0.496 . . . . 13.76 110.369 179.63 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 74' ' ' LEU . . . . . 0.758 HD12 ' HB2' ' D' ' 62' ' ' GLN . 12.1 mt -49.38 -35.04 17.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 18.68 110.991 179.938 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 75' ' ' LYS . . . . . 0.423 ' CB ' ' O ' ' C' ' 71' ' ' PHE . 5.4 tttp -54.54 -70.56 0.1 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.171 -0.468 . . . . 21.510000000000002 110.275 179.586 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 76' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -61.86 -25.52 67.58 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.752 -0.658 . . . . 14.699999999999999 111.004 179.853 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 77' ' ' LEU . . . . . 0.857 ' O ' HD12 ' C' ' 77' ' ' LEU . 0.8 OUTLIER -71.75 -44.33 64.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.366 -0.379 . . . . 19.699999999999999 110.951 -179.787 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' C' C ' 78' ' ' TYR . . . . . 0.518 ' OH ' HG13 ' B' ' 70' ' ' VAL . 14.7 m-85 -72.69 -24.26 60.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.422 -0.354 . . . . 25.309999999999999 110.611 179.843 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -74.79 -30.74 61.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.284 -0.416 . . . . 27.489999999999998 110.411 179.541 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 11.9 tttm -71.38 -33.27 69.37 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.918 -0.583 . . . . 29.02 110.842 179.746 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -55.64 -76.81 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.102 -0.499 . . . . 33.460000000000001 110.92 179.948 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 82' ' ' THR . . . . . . . . . . . . . 8.5 t . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.181 -0.914 . . . . 39.5 110.88 -179.98 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' D' D ' 52' ' ' ARG . . . . . . . . . . . . . 8.3 mtt180 . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.813 0.339 . . . . 45.880000000000003 111.136 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' D' D ' 53' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 176.01 179.43 0.17 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.298 -0.41 . . . . 41.140000000000001 111.004 179.932 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.81 -21.61 62.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.473 . . . . 34.710000000000001 111.141 179.978 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' D' D ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.56 -46.41 86.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.421 -0.354 . . . . 33.950000000000003 111.131 -179.942 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.28 -55.76 14.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.431 . . . . 30.489999999999998 110.983 -179.923 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' D' D ' 57' ' ' ARG . . . . . . . . . . . . . 20.3 mmt180 -49.7 -32.33 13.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 29.75 110.989 -179.842 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 58' ' ' LEU . . . . . 0.667 HD22 HG23 ' B' ' 73' ' ' THR . 20.1 mt -69.49 -61.13 1.91 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 19.420000000000002 111.083 -179.857 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' D' D ' 59' ' ' ALA . . . . . . . . . . . . . . . -43.58 -29.27 0.46 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.901 -0.591 . . . . 18.309999999999999 111.33 -179.96 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 60' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -73.83 -45.84 48.77 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.039 -0.528 . . . . 23.149999999999999 110.808 179.769 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 61' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -61.51 -33.69 74.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 15.970000000000001 110.795 179.836 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 62' ' ' GLN . . . . . 0.758 ' HB2' HD12 ' C' ' 74' ' ' LEU . 3.8 mm-40 -70.65 -50.4 37.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.485 . . . . 14.94 110.739 179.846 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' D' D ' 63' ' ' SER . . . . . . . . . . . . . 1.2 m -51.09 -57.96 7.32 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.347 -0.388 . . . . 14.24 110.602 179.854 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 64' ' ' GLU . . . . . 0.4 ' HG3' ' N ' ' D' ' 65' ' ' LEU . 8.9 pt-20 -52.4 -33.39 43.35 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 116.043 -0.526 . . . . 12.380000000000001 110.58 179.604 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' D' D ' 65' ' ' LEU . . . . . 0.4 ' N ' ' HG3' ' D' ' 64' ' ' GLU . 0.2 OUTLIER -69.58 -45.67 68.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.995 -0.548 . . . . 5.6900000000000004 110.678 179.687 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' D' D ' 66' ' ' VAL . . . . . 0.587 HG23 ' O ' ' D' ' 62' ' ' GLN . 17.4 t -63.53 -34.01 64.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.056 -0.52 . . . . 7.4299999999999997 111.062 179.828 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' D' D ' 67' ' ' LYS . . . . . 0.437 ' HG2' ' CB ' ' C' ' 63' ' ' SER . 0.0 OUTLIER -61.51 -56.15 23.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 18.629999999999999 110.779 179.903 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' D' D ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.96 -35.38 61.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 17.100000000000001 110.802 179.906 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' D' D ' 69' ' ' MET . . . . . 0.424 ' CE ' ' HB3' ' B' ' 62' ' ' GLN . 36.4 ttp -67.22 -50.52 60.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.111 -0.495 . . . . 12.789999999999999 110.884 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' D' D ' 70' ' ' VAL . . . . . 0.515 HG13 ' OH ' ' A' ' 78' ' ' TYR . 52.1 t -74.27 -24.37 18.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.055 -0.521 . . . . 15.42 111.17 -179.905 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 31.2 t80 -60.79 -45.8 92.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 24.399999999999999 110.642 179.811 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -69.11 -40.9 78.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 28.210000000000001 110.561 179.775 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 73' ' ' THR . . . . . 0.687 HG23 HD22 ' B' ' 58' ' ' LEU . 51.8 m -56.96 -45.94 82.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 20.280000000000001 110.768 179.759 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' D' D ' 74' ' ' LEU . . . . . . . . . . . . . 67.6 mt -64.51 -37.71 88.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 22.27 110.754 179.897 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 75' ' ' LYS . . . . . . . . . . . . . 2.1 ttpt -51.56 -41.92 61.47 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.2 -0.455 . . . . 29.18 110.462 179.781 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 76' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -76.93 -35.02 57.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.967 -0.561 . . . . 31.289999999999999 110.495 179.675 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 77' ' ' LEU . . . . . 0.477 HD11 ' CD1' ' A' ' 78' ' ' TYR . 13.6 mt -59.05 -49.83 76.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.009 -0.542 . . . . 30.670000000000002 110.758 179.667 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' D' D ' 78' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -76.17 -42.05 47.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.103 -0.499 . . . . 33.619999999999997 110.896 179.907 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 79' ' ' LYS . . . . . . . . . . . . . 8.8 tttp -57.32 -38.45 74.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.084 -0.507 . . . . 40.280000000000001 110.94 -179.909 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 80' ' ' LYS . . . . . . . . . . . . . 45.2 tttp -54.34 -68.18 0.2 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.356 -0.384 . . . . 41.979999999999997 110.823 -179.981 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 81' ' ' THR . . . . . 0.482 HG23 ' O ' ' D' ' 81' ' ' THR . 5.6 t -75.08 76.56 2.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 41.57 110.798 179.903 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' D' D ' 82' ' ' THR . . . . . 0.505 HG23 ' OXT' ' D' ' 82' ' ' THR . 14.4 t . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.21 -0.9 . . . . 48.869999999999997 110.914 -179.844 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 . . . . . 0 N--CA 1.487 1.402 0 CA-C-O 120.719 0.295 . . . . 48.18 111.147 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 68.79 75.53 0.25 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 37.240000000000002 111.053 -179.982 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -54.87 -31.82 60.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 40.299999999999997 110.68 179.85 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.66 -40.42 96.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 31.48 110.723 179.734 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.07 -50.83 52.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.095 -0.502 . . . . 28.300000000000001 110.495 179.585 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 2.4 mmt180 -63.43 -44.42 94.63 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.975 -0.557 . . . . 28.420000000000002 110.316 179.528 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.505 HD23 ' HA ' ' A' ' 58' ' ' LEU . 11.6 mt -53.8 -50.72 65.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.872 -0.604 . . . . 30.460000000000001 110.433 179.486 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.52 -38.06 52.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.046 -0.525 . . . . 24.510000000000002 110.85 179.771 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.66 -26.39 37.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.021 -0.536 . . . . 24.969999999999999 110.66 179.852 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -73.24 -51.3 18.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 26.600000000000001 110.696 179.874 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.529 ' HB2' HD13 ' B' ' 74' ' ' LEU . 55.5 mm-40 -61.39 -36.05 79.2 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.019 -0.537 . . . . 18.690000000000001 110.754 179.8 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 24.8 p -65.04 -36.83 85.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 16.329999999999998 110.64 179.794 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -56.39 -55.53 32.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.431 . . . . 19.84 110.646 179.824 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.9 mt -51.08 -38.0 49.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 18.899999999999999 110.578 179.719 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 64.8 t -69.96 -50.6 47.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.049 -0.523 . . . . 10.35 110.925 179.83 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 24.0 tttm -57.65 -41.43 81.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.121 -0.491 . . . . 15.84 110.823 179.9 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 15.6 ttpt -60.44 -38.27 83.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 22.140000000000001 110.608 179.753 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 36.1 ttp -64.42 -44.62 90.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 9.1400000000000006 110.556 179.632 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.602 HG21 HG21 ' B' ' 66' ' ' VAL . 92.9 t -66.89 -43.57 89.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.143 -0.48 . . . . 7.2999999999999998 110.994 179.93 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.421 ' O ' ' CB ' ' A' ' 75' ' ' LYS . 21.1 t80 -53.41 -60.62 3.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.812 0.339 . . . . 18.890000000000001 110.591 179.972 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -53.14 -42.39 66.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.384 -0.371 . . . . 11.529999999999999 110.556 179.82 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 20.7 m -66.96 -69.52 0.3 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.435 . . . . 10.630000000000001 110.277 179.635 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.471 ' HG ' HG13 ' A' ' 70' ' ' VAL . 13.5 mt -50.67 -37.11 39.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.048 -0.524 . . . . 18.050000000000001 111.185 179.936 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.421 ' CB ' ' O ' ' A' ' 71' ' ' PHE . 3.9 tttp -52.98 -71.06 0.07 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.105 0.479 . . . . 20.969999999999999 110.05 179.405 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -61.28 -32.28 72.12 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.582 -0.736 . . . . 17.379999999999999 110.934 179.83 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.633 ' O ' HD12 ' A' ' 77' ' ' LEU . 0.7 OUTLIER -61.94 -58.78 6.61 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.435 -0.348 . . . . 19.73 110.722 -179.937 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.449 ' CE2' ' HB3' ' A' ' 74' ' ' LEU . 21.0 m-85 -62.4 -23.61 66.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.321 -0.4 . . . . 26.670000000000002 110.905 179.799 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.67 -33.13 62.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.318 -0.401 . . . . 27.620000000000001 110.609 179.772 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 8.7 tmtt? -69.39 -34.79 75.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.099 -0.501 . . . . 31.149999999999999 110.81 179.868 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -56.48 -80.09 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.132 -0.486 . . . . 34.060000000000002 110.935 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.7 t . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.174 -0.917 . . . . 41.57 110.982 179.999 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.398 0 CA-C-O 120.86 0.362 . . . . 46.109999999999999 111.137 . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 53' ' ' ASN . . . . . 0.684 ' ND2' ' HB3' ' B' ' 55' ' ' ALA . 1.2 p-10 -161.29 176.48 11.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.097 -0.501 . . . . 38.43 110.777 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -50.77 -41.29 56.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 31.77 110.934 179.977 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 55' ' ' ALA . . . . . 0.684 ' HB3' ' ND2' ' B' ' 53' ' ' ASN . . . -51.7 -42.42 62.2 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.157 -0.474 . . . . 31.25 110.764 179.77 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 9.5 tm-20 -72.41 -35.55 68.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.072 -0.513 . . . . 29.27 110.674 179.704 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 3.7 mpt_? -65.73 -36.61 84.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 21.989999999999998 110.687 179.791 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 58' ' ' LEU . . . . . 0.952 HD13 ' CG2' ' D' ' 73' ' ' THR . 78.0 mt -67.4 -51.59 50.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.015 -0.539 . . . . 17.789999999999999 110.647 179.872 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 59' ' ' ALA . . . . . 0.409 ' O ' ' CB ' ' B' ' 63' ' ' SER . . . -49.98 -37.45 32.45 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.972 -0.558 . . . . 18.68 110.983 179.799 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 60' ' ' ASP . . . . . 0.419 ' HA ' ' HG ' ' B' ' 63' ' ' SER . 33.2 t0 -70.86 -50.69 32.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 22.93 110.926 179.845 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -62.36 -38.29 88.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 16.149999999999999 110.683 179.699 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 62' ' ' GLN . . . . . 0.471 ' HB3' ' CD1' ' A' ' 74' ' ' LEU . 0.2 OUTLIER -76.44 -41.93 45.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.034 -0.53 . . . . 14.359999999999999 110.818 179.812 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' B' B ' 63' ' ' SER . . . . . 0.419 ' HG ' ' HA ' ' B' ' 60' ' ' ASP . 79.5 p -66.17 -54.61 23.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.297 -0.41 . . . . 12.880000000000001 110.531 179.791 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -51.24 -38.26 51.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.137 -0.483 . . . . 7.7999999999999998 110.698 179.735 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.77 -42.9 94.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.019 -0.537 . . . . 5.8099999999999996 110.68 179.79 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 66' ' ' VAL . . . . . 0.739 HG13 ' CE ' ' B' ' 69' ' ' MET . 59.1 t -58.53 -36.05 57.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 5.8200000000000003 110.908 179.859 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 67' ' ' LYS . . . . . 0.421 ' O ' ' HB2' ' B' ' 71' ' ' PHE . 7.1 ttpt -69.26 -31.78 70.55 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.129 -0.487 . . . . 14.130000000000001 110.643 179.842 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 12.9 tttt -74.56 -38.74 62.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.079 -0.51 . . . . 17.829999999999998 110.794 179.948 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 69' ' ' MET . . . . . 0.739 ' CE ' HG13 ' B' ' 66' ' ' VAL . 20.8 ptt? -74.42 -36.01 63.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.327 -0.397 . . . . 12.91 110.739 179.951 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.662 HG23 ' O ' ' B' ' 66' ' ' VAL . 58.3 t -80.14 -31.79 13.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.082 -0.508 . . . . 15.42 111.174 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.421 ' HB2' ' O ' ' B' ' 67' ' ' LYS . 14.0 t80 -58.85 -53.0 63.34 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.324 -0.398 . . . . 24.690000000000001 110.589 179.707 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.36 -44.69 96.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 28.539999999999999 110.68 179.769 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 73' ' ' THR . . . . . 0.966 ' CG2' HD13 ' D' ' 58' ' ' LEU . 63.5 m -56.47 -62.14 1.93 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.111 -0.495 . . . . 22.920000000000002 110.82 179.764 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 74' ' ' LEU . . . . . 0.529 HD13 ' HB2' ' A' ' 62' ' ' GLN . 49.4 mt -50.57 -39.29 49.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 20.989999999999998 110.96 -179.924 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 2.1 ttpt -49.89 -49.11 50.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.939 0.4 . . . . 25.809999999999999 110.61 179.919 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -70.55 -37.54 74.05 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.921 -0.582 . . . . 30.260000000000002 110.694 179.716 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.465 HD12 ' HA ' ' B' ' 74' ' ' LEU . 9.7 mt -56.2 -50.03 72.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.049 -0.523 . . . . 30.32 110.967 179.845 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 39.3 m-85 -71.16 -43.84 66.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 31.34 110.98 -179.946 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.3 -37.58 24.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.46 . . . . 41.399999999999999 110.949 -179.936 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 11.6 tptt -60.81 -21.45 63.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 39.090000000000003 111.07 179.983 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 81' ' ' THR . . . . . 0.451 HG23 ' O ' ' B' ' 81' ' ' THR . 9.9 t -169.41 118.05 0.64 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.418 -0.355 . . . . 39.159999999999997 110.837 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 1.6 t . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.244 -0.884 . . . . 43.920000000000002 110.938 179.923 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' C' C ' 52' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 . . . . . 0 N--CA 1.485 1.302 0 CA-C-O 120.778 0.323 . . . . 45.759999999999998 111.196 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' C' C ' 53' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 69.04 75.38 0.24 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 41.030000000000001 111.01 179.861 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -54.74 -31.77 58.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.271 -0.422 . . . . 38.130000000000003 110.725 179.872 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.81 -40.19 96.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.449 . . . . 34.740000000000002 110.724 179.78 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.36 -50.73 51.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.083 -0.508 . . . . 30.140000000000001 110.43 179.624 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' C' C ' 57' ' ' ARG . . . . . . . . . . . . . 2.4 mmt180 -63.5 -44.34 94.61 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.038 -0.528 . . . . 36.5 110.245 179.577 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 58' ' ' LEU . . . . . 0.486 HD23 ' HA ' ' C' ' 58' ' ' LEU . 11.4 mt -53.89 -50.77 65.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.831 -0.622 . . . . 25.16 110.456 179.551 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.62 -37.91 52.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.966 -0.561 . . . . 20.25 110.809 179.724 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.59 -26.59 37.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.036 -0.529 . . . . 20.91 110.704 179.775 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -73.07 -51.22 18.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.06 -0.518 . . . . 22.789999999999999 110.731 179.885 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 62' ' ' GLN . . . . . 0.44 ' HB2' HD13 ' D' ' 74' ' ' LEU . 56.0 mm-40 -61.53 -35.96 79.22 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.952 -0.567 . . . . 25.309999999999999 110.738 179.865 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' C' C ' 63' ' ' SER . . . . . . . . . . . . . 24.7 p -65.16 -36.94 85.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 17.18 110.67 179.856 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -56.21 -55.43 33.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 26.199999999999999 110.653 179.79 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 65' ' ' LEU . . . . . . . . . . . . . 1.9 mt -51.3 -37.97 50.37 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.14 -0.482 . . . . 17.34 110.573 179.75 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 66' ' ' VAL . . . . . . . . . . . . . 64.2 t -69.86 -50.73 46.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.017 -0.538 . . . . 15.029999999999999 110.912 179.768 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 67' ' ' LYS . . . . . . . . . . . . . 24.0 tttm -57.5 -41.44 80.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.047 -0.524 . . . . 12.56 110.853 179.826 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 68' ' ' LYS . . . . . . . . . . . . . 15.6 ttpt -60.39 -38.31 83.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.438 . . . . 12.57 110.62 179.78 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 69' ' ' MET . . . . . . . . . . . . . 36.1 ttp -64.46 -44.73 90.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.071 -0.513 . . . . 7.6600000000000001 110.561 179.688 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 70' ' ' VAL . . . . . 0.514 HG21 HG21 ' D' ' 66' ' ' VAL . 94.0 t -66.71 -43.58 90.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 8.9800000000000004 111.032 179.821 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' C' C ' 71' ' ' PHE . . . . . 0.429 ' O ' ' CB ' ' C' ' 75' ' ' LYS . 21.1 t80 -53.44 -60.56 3.14 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.956 -0.297 . . . . 10.15 110.608 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -53.21 -42.1 65.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.33 -0.396 . . . . 11.369999999999999 110.564 179.884 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 73' ' ' THR . . . . . . . . . . . . . 20.7 m -67.3 -69.45 0.31 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 12.859999999999999 110.285 179.653 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 74' ' ' LEU . . . . . 0.468 ' HG ' HG13 ' C' ' 70' ' ' VAL . 13.3 mt -50.7 -36.96 38.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.059 -0.519 . . . . 14.26 111.127 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' C' C ' 75' ' ' LYS . . . . . 0.429 ' CB ' ' O ' ' C' ' 71' ' ' PHE . 3.9 tttp -53.12 -71.24 0.07 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.084 0.469 . . . . 13.369999999999999 110.011 179.298 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' C' C ' 76' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -61.24 -32.04 71.83 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.643 -0.708 . . . . 16.710000000000001 110.951 179.807 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 77' ' ' LEU . . . . . 0.631 ' O ' HD12 ' C' ' 77' ' ' LEU . 0.8 OUTLIER -62.08 -58.7 6.83 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.501 -0.318 . . . . 21.149999999999999 110.815 179.961 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' C' C ' 78' ' ' TYR . . . . . 0.443 ' CE2' ' HB3' ' C' ' 74' ' ' LEU . 20.9 m-85 -62.47 -23.64 67.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 23.989999999999998 110.901 179.822 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.68 -33.04 62.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.358 -0.383 . . . . 28.100000000000001 110.612 179.789 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 8.8 tmtt? -69.47 -34.81 74.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.085 -0.507 . . . . 26.949999999999999 110.772 179.877 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -56.54 -80.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 32.960000000000001 110.887 -179.97 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' C' C ' 82' ' ' THR . . . . . . . . . . . . . 11.9 t . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.214 -0.898 . . . . 37.479999999999997 110.886 179.956 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' D' D ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.845 0.355 . . . . 45.659999999999997 111.193 . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 53' ' ' ASN . . . . . 0.693 ' ND2' ' HB3' ' D' ' 55' ' ' ALA . 1.2 p-10 -161.34 176.33 11.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.09 -0.505 . . . . 39.109999999999999 110.856 179.89 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -50.67 -41.07 55.16 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.234 -0.439 . . . . 33.32 110.922 -179.955 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 55' ' ' ALA . . . . . 0.693 ' HB3' ' ND2' ' D' ' 53' ' ' ASN . . . -51.87 -42.37 62.6 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.156 -0.474 . . . . 30.690000000000001 110.749 179.848 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 9.5 tm-20 -72.49 -35.57 68.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.038 -0.528 . . . . 29.440000000000001 110.668 179.743 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 57' ' ' ARG . . . . . . . . . . . . . 3.7 mpt_? -65.73 -36.34 83.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.074 -0.512 . . . . 30.239999999999998 110.73 179.761 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 58' ' ' LEU . . . . . 0.966 HD13 ' CG2' ' B' ' 73' ' ' THR . 77.2 mt -67.72 -51.21 52.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.057 -0.52 . . . . 21.789999999999999 110.657 179.815 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' D' D ' 59' ' ' ALA . . . . . 0.409 ' O ' ' CB ' ' D' ' 63' ' ' SER . . . -50.34 -37.53 37.33 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.013 -0.539 . . . . 18.870000000000001 110.866 179.928 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' D' D ' 60' ' ' ASP . . . . . 0.411 ' HA ' ' HG ' ' D' ' 63' ' ' SER . 31.0 t0 -70.88 -50.15 38.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.09 -0.505 . . . . 16.210000000000001 110.876 179.986 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' D' D ' 61' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -62.92 -38.3 90.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.882 0.372 . . . . 10.91 110.614 179.701 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 62' ' ' GLN . . . . . 0.448 ' HB3' ' CD1' ' C' ' 74' ' ' LEU . 0.3 OUTLIER -76.11 -42.11 48.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.028 -0.533 . . . . 11.279999999999999 110.741 179.806 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' D' D ' 63' ' ' SER . . . . . 0.411 ' HG ' ' HA ' ' D' ' 60' ' ' ASP . 80.2 p -66.17 -55.0 18.49 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.228 -0.442 . . . . 16.59 110.597 179.775 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' D' D ' 64' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -50.85 -38.3 48.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.099 -0.5 . . . . 16.440000000000001 110.733 179.732 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 65' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.79 -42.93 94.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.04 -0.527 . . . . 8.9100000000000001 110.745 179.782 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' D' D ' 66' ' ' VAL . . . . . 0.739 HG13 ' CE ' ' D' ' 69' ' ' MET . 58.5 t -58.57 -35.74 56.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.059 -0.518 . . . . 9.4000000000000004 111.021 179.791 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' D' D ' 67' ' ' LYS . . . . . 0.419 ' O ' ' HB2' ' D' ' 71' ' ' PHE . 7.1 ttpt -69.53 -31.86 70.33 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.085 -0.507 . . . . 15.99 110.65 179.797 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' D' D ' 68' ' ' LYS . . . . . . . . . . . . . 13.0 tttt -74.37 -38.85 63.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.047 -0.524 . . . . 9.8100000000000005 110.785 179.871 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 69' ' ' MET . . . . . 0.739 ' CE ' HG13 ' D' ' 66' ' ' VAL . 20.8 ptt? -74.36 -36.07 63.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.328 -0.397 . . . . 10.890000000000001 110.771 179.962 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' D' D ' 70' ' ' VAL . . . . . 0.67 HG23 ' O ' ' D' ' 66' ' ' VAL . 59.0 t -80.02 -31.83 13.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.477 . . . . 11.550000000000001 111.111 179.947 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' D' D ' 71' ' ' PHE . . . . . 0.419 ' HB2' ' O ' ' D' ' 67' ' ' LYS . 14.0 t80 -58.84 -53.3 59.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.341 -0.391 . . . . 18.530000000000001 110.61 179.763 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.86 -45.0 96.25 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.234 -0.439 . . . . 24.0 110.723 179.641 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' D' D ' 73' ' ' THR . . . . . 0.952 ' CG2' HD13 ' B' ' 58' ' ' LEU . 63.1 m -56.16 -62.28 1.82 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.084 -0.507 . . . . 22.710000000000001 110.876 179.724 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' D' D ' 74' ' ' LEU . . . . . 0.485 ' CD1' HG12 ' D' ' 70' ' ' VAL . 49.0 mt -50.55 -39.31 48.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 26.960000000000001 110.989 -179.91 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' D' D ' 75' ' ' LYS . . . . . . . . . . . . . 2.0 ttpt -49.87 -48.9 51.06 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.26 -0.427 . . . . 29.379999999999999 110.761 179.899 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 76' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -70.71 -37.44 73.55 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.916 -0.584 . . . . 29.199999999999999 110.718 179.712 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 77' ' ' LEU . . . . . 0.469 HD12 ' HA ' ' D' ' 74' ' ' LEU . 9.8 mt -56.29 -50.17 72.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.072 -0.513 . . . . 28.68 110.934 179.745 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' D' D ' 78' ' ' TYR . . . . . . . . . . . . . 39.0 m-85 -70.91 -43.97 67.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 34.369999999999997 111.0 -179.921 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.38 -37.56 25.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 42.460000000000001 110.967 -179.908 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' D' D ' 80' ' ' LYS . . . . . . . . . . . . . 11.5 tptt -60.88 -21.36 63.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.272 -0.422 . . . . 42.359999999999999 111.014 179.958 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 81' ' ' THR . . . . . 0.452 HG23 ' O ' ' D' ' 81' ' ' THR . 9.8 t -169.42 118.04 0.64 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.446 -0.343 . . . . 40.130000000000003 110.875 179.967 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' D' D ' 82' ' ' THR . . . . . . . . . . . . . 1.6 t . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.264 -0.874 . . . . 47.210000000000001 110.926 179.944 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 29.1 ttm-85 . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.835 0.35 . . . . 45.840000000000003 111.175 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -165.6 102.65 0.7 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.206 -0.452 . . . . 37.200000000000003 110.95 179.904 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -63.8 -30.78 71.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 36.700000000000003 110.79 179.882 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.523 ' HB1' ' CB ' ' B' ' 78' ' ' TYR . . . -62.32 -35.55 79.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 31.18 110.442 179.594 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -71.13 -54.86 9.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.017 -0.538 . . . . 27.260000000000002 110.212 179.34 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 1.7 mtp85 -60.81 -40.43 92.68 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.791 -0.641 . . . . 28.77 110.216 179.412 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.453 HD23 ' HA ' ' A' ' 58' ' ' LEU . 14.6 mt -61.7 -52.83 62.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.853 -0.612 . . . . 24.989999999999998 110.744 179.661 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -49.13 -30.18 6.32 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.101 -0.5 . . . . 23.199999999999999 111.082 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -81.41 -28.72 34.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.428 . . . . 25.469999999999999 110.701 179.821 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -78.15 -47.66 17.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 28.43 110.674 179.846 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.568 ' HB2' HD13 ' B' ' 74' ' ' LEU . 50.8 mm-40 -59.37 -45.46 91.37 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.883 -0.599 . . . . 22.27 110.762 179.915 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 82.1 p -62.31 -35.78 80.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 16.140000000000001 110.763 179.757 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -58.27 -38.69 77.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 20.34 110.785 179.767 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.8 mt -63.73 -45.01 91.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 14.75 110.724 179.821 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 41.8 t -64.32 -40.6 89.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.071 -0.513 . . . . 10.73 111.012 179.906 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.405 ' HG3' ' HB2' ' B' ' 63' ' ' SER . 35.1 tttt -59.67 -51.18 70.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 19.719999999999999 110.715 179.86 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.0 ttmt -55.66 -38.24 69.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 18.690000000000001 110.523 179.751 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 47.4 ttp -63.1 -39.62 95.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.096 -0.502 . . . . 7.1399999999999997 110.585 179.706 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 24.6 t -72.96 -45.65 54.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 5.0999999999999996 110.631 179.799 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.431 ' O ' ' HB2' ' A' ' 75' ' ' LYS . 22.0 t80 -51.49 -72.97 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.941 -0.392 . . . . 9.4499999999999993 109.941 179.429 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -44.52 -34.51 2.13 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.257 -0.428 . . . . 8.5800000000000001 110.947 179.482 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.0 m -68.12 -73.53 0.14 Allowed 'General case' 0 N--CA 1.454 -0.246 0 CA-C-O 120.963 0.411 . . . . 14.359999999999999 110.179 179.501 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.684 HD12 ' HB2' ' B' ' 62' ' ' GLN . 21.1 mt -51.04 -32.05 20.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.997 -0.547 . . . . 18.43 111.103 179.863 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.431 ' HB2' ' O ' ' A' ' 71' ' ' PHE . 2.2 ttmt -54.67 -62.07 1.9 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.317 -0.401 . . . . 18.73 110.517 179.711 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.15 -32.67 72.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.072 -0.513 . . . . 14.42 110.766 179.801 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.624 ' C ' HD12 ' A' ' 77' ' ' LEU . 0.6 OUTLIER -66.72 -65.55 0.67 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.109 -0.496 . . . . 19.760000000000002 110.461 179.889 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.789 ' OH ' HG13 ' D' ' 70' ' ' VAL . 21.1 m-30 -54.81 -26.34 34.21 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.871 0.367 . . . . 24.559999999999999 110.686 179.647 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 3.5 mttt -66.81 -40.97 88.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.091 -0.504 . . . . 29.43 110.929 179.978 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 5.0 ttpt -68.19 -33.73 74.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.224 -0.444 . . . . 28.41 110.833 -179.985 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.408 ' OG1' ' HA ' ' A' ' 78' ' ' TYR . 0.1 OUTLIER -58.49 -47.29 84.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 33.57 110.893 179.92 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.0 p . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.234 -0.888 . . . . 39.539999999999999 110.886 -179.921 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 16.1 mmt180 . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.814 0.34 . . . . 44.18 111.21 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -95.11 24.11 5.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.101 -0.5 . . . . 41.100000000000001 110.893 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -64.41 -24.92 67.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.318 -0.401 . . . . 34.770000000000003 111.001 -179.975 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.75 -48.19 82.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 33.880000000000003 111.114 -179.874 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -63.28 -44.26 95.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.258 -0.428 . . . . 30.079999999999998 110.802 -179.987 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 65.8 mtt-85 -62.12 -37.06 83.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.425 . . . . 30.219999999999999 110.801 179.944 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 58' ' ' LEU . . . . . 0.726 HD22 HG23 ' D' ' 73' ' ' THR . 36.2 mt -62.79 -53.72 50.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.005 -0.543 . . . . 19.829999999999998 110.749 179.911 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -50.78 -40.32 54.88 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.896 -0.593 . . . . 17.5 111.045 -179.962 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 60' ' ' ASP . . . . . 0.405 ' HA ' ' OG ' ' B' ' 63' ' ' SER . 22.7 t0 -66.04 -34.56 78.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 21.390000000000001 110.642 179.953 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.75 -42.63 85.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 14.890000000000001 110.448 179.615 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 62' ' ' GLN . . . . . 0.961 ' O ' HG23 ' B' ' 66' ' ' VAL . 2.5 mm-40 -71.92 -48.36 46.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.943 -0.571 . . . . 14.199999999999999 111.262 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 63' ' ' SER . . . . . 0.405 ' OG ' ' HA ' ' B' ' 60' ' ' ASP . 1.8 p -51.76 -52.26 50.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.442 -0.345 . . . . 14.56 111.634 -179.343 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -57.21 -58.51 7.91 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.488 -0.324 . . . . 15.02 111.773 -179.169 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 65' ' ' LEU . . . . . 0.528 HD21 ' HA ' ' B' ' 62' ' ' GLN . 1.6 pp -52.22 -32.84 38.48 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.869 -0.332 . . . . 5.8799999999999999 110.821 -179.624 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 66' ' ' VAL . . . . . 0.961 HG23 ' O ' ' B' ' 62' ' ' GLN . 92.9 t -61.13 -52.3 63.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.865 0.364 . . . . 8.2200000000000006 111.029 179.805 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 67' ' ' LYS . . . . . 0.429 ' O ' ' HB2' ' B' ' 71' ' ' PHE . 7.8 ttmt -52.45 -35.76 53.14 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.206 -0.452 . . . . 19.829999999999998 110.886 -179.79 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.53 -38.43 87.14 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.25 -0.432 . . . . 16.899999999999999 111.493 -179.702 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 69' ' ' MET . . . . . 0.716 ' HE1' HG13 ' B' ' 66' ' ' VAL . 2.5 ptt? -68.38 -39.07 81.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.938 0.399 . . . . 12.26 111.069 -179.668 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.773 HG13 ' OH ' ' C' ' 78' ' ' TYR . 61.6 t -87.07 -25.13 6.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.109 -0.496 . . . . 14.94 111.547 -179.466 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.429 ' HB2' ' O ' ' B' ' 67' ' ' LYS . 10.8 t80 -65.18 -36.89 85.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.812 0.339 . . . . 23.07 110.448 179.712 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -78.42 -44.2 25.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 27.399999999999999 110.534 179.586 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 73' ' ' THR . . . . . 0.776 HG23 HD22 ' D' ' 58' ' ' LEU . 53.5 m -57.91 -43.09 85.97 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.231 -0.441 . . . . 19.879999999999999 110.675 179.738 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 74' ' ' LEU . . . . . 0.568 HD13 ' HB2' ' A' ' 62' ' ' GLN . 50.8 mt -64.45 -42.86 95.71 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.185 -0.462 . . . . 22.93 110.87 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -50.17 -40.61 47.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.446 . . . . 29.670000000000002 110.673 179.869 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -80.02 -31.17 39.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.938 -0.574 . . . . 31.120000000000001 110.68 179.759 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.62 HD21 HD12 ' D' ' 58' ' ' LEU . 23.9 mt -61.0 -38.06 84.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.014 -0.539 . . . . 29.809999999999999 110.839 179.901 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 78' ' ' TYR . . . . . 0.523 ' CB ' ' HB1' ' A' ' 55' ' ' ALA . 4.2 m-85 -84.65 -36.82 21.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 33.82 110.774 179.928 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 2.4 mmmt -63.56 -22.27 66.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.095 -0.502 . . . . 38.509999999999998 111.137 -179.984 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.9 -23.37 60.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.366 -0.379 . . . . 41.600000000000001 111.239 -179.821 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 81' ' ' THR . . . . . 0.422 HG23 ' O ' ' B' ' 81' ' ' THR . 8.6 t -126.34 61.49 1.29 Allowed 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 116.286 -0.415 . . . . 41.289999999999999 110.881 179.975 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 4.5 t . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.212 -0.899 . . . . 49.229999999999997 110.857 179.994 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' C' C ' 52' ' ' ARG . . . . . . . . . . . . . 29.1 ttm-85 . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.818 0.342 . . . . 45.960000000000001 111.127 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' C' C ' 53' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -165.71 102.49 0.69 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.435 . . . . 40.359999999999999 110.96 180.0 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -63.58 -31.06 72.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 42.460000000000001 110.71 179.874 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 55' ' ' ALA . . . . . 0.456 ' HB1' ' CB ' ' D' ' 78' ' ' TYR . . . -62.02 -35.68 79.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.319 -0.401 . . . . 34.869999999999997 110.444 179.665 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -71.12 -54.81 9.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.056 -0.52 . . . . 29.960000000000001 110.204 179.343 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 57' ' ' ARG . . . . . . . . . . . . . 1.7 mtp85 -60.68 -40.48 92.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.869 -0.605 . . . . 37.009999999999998 110.26 179.311 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 58' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' C' ' 58' ' ' LEU . 14.7 mt -61.65 -52.99 62.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.86 -0.609 . . . . 31.100000000000001 110.783 179.589 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -49.28 -29.9 6.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.1 -0.5 . . . . 22.010000000000002 111.084 -179.935 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -81.57 -28.77 33.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 19.52 110.637 179.731 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -77.98 -47.58 18.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.08 -0.509 . . . . 20.140000000000001 110.682 179.826 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' C' C ' 62' ' ' GLN . . . . . 0.598 ' HB2' HD13 ' D' ' 74' ' ' LEU . 51.0 mm-40 -59.48 -45.47 91.58 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.885 -0.598 . . . . 21.420000000000002 110.781 179.972 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' C' C ' 63' ' ' SER . . . . . . . . . . . . . 81.9 p -62.32 -35.71 79.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 18.300000000000001 110.698 179.85 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -58.43 -38.54 77.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 24.010000000000002 110.718 179.914 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 65' ' ' LEU . . . . . . . . . . . . . 1.9 mt -63.94 -45.0 91.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 20.199999999999999 110.676 179.887 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 66' ' ' VAL . . . . . . . . . . . . . 42.3 t -64.36 -40.59 89.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.087 -0.506 . . . . 14.0 110.906 179.938 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 67' ' ' LYS . . . . . 0.419 ' HG3' ' HB2' ' D' ' 63' ' ' SER . 34.7 tttt -59.73 -51.23 70.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.098 -0.501 . . . . 7.6600000000000001 110.661 179.865 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' C' C ' 68' ' ' LYS . . . . . . . . . . . . . 2.0 ttmt -55.62 -38.16 69.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.266 -0.424 . . . . 16.780000000000001 110.556 179.76 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 69' ' ' MET . . . . . . . . . . . . . 46.9 ttp -63.22 -39.54 94.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.063 -0.517 . . . . 8.8599999999999994 110.567 179.702 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 24.7 t -72.99 -45.73 53.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 9.1300000000000008 110.661 179.794 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 71' ' ' PHE . . . . . 0.445 ' O ' ' HB2' ' C' ' 75' ' ' LYS . 22.0 t80 -51.37 -72.98 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.95 -0.389 . . . . 19.300000000000001 109.95 179.397 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -44.41 -34.57 2.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 14.99 111.063 179.409 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 73' ' ' THR . . . . . . . . . . . . . 18.0 m -68.21 -73.29 0.15 Allowed 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 116.248 -0.433 . . . . 8.5199999999999996 110.133 179.613 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 74' ' ' LEU . . . . . 0.691 HD12 ' HB2' ' D' ' 62' ' ' GLN . 20.4 mt -51.24 -32.0 22.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.036 -0.529 . . . . 13.460000000000001 111.089 179.864 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' C' C ' 75' ' ' LYS . . . . . 0.445 ' HB2' ' O ' ' C' ' 71' ' ' PHE . 2.2 ttmt -54.73 -61.89 2.02 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.286 -0.416 . . . . 17.440000000000001 110.599 179.766 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' C' C ' 76' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.22 -32.77 72.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 18.98 110.783 179.757 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' C' C ' 77' ' ' LEU . . . . . 0.623 ' C ' HD12 ' C' ' 77' ' ' LEU . 0.6 OUTLIER -66.69 -65.82 0.63 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.074 -0.512 . . . . 21.16 110.465 179.875 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' C' C ' 78' ' ' TYR . . . . . 0.773 ' OH ' HG13 ' B' ' 70' ' ' VAL . 21.1 m-30 -54.42 -26.67 32.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.845 0.355 . . . . 27.960000000000001 110.607 179.589 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 3.5 mttt -66.63 -41.03 88.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.473 . . . . 25.43 110.904 -179.984 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 5.1 ttpt -68.24 -33.73 74.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.426 . . . . 30.629999999999999 110.831 -179.926 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 81' ' ' THR . . . . . 0.408 ' OG1' ' HA ' ' C' ' 78' ' ' TYR . 0.1 OUTLIER -58.35 -47.29 84.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.142 -0.481 . . . . 33.670000000000002 110.923 179.806 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' C' C ' 82' ' ' THR . . . . . . . . . . . . . 1.9 p . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.2 -0.905 . . . . 40.0 110.902 -179.894 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' D' D ' 52' ' ' ARG . . . . . . . . . . . . . 16.3 mmt180 . . . . . 0 N--CA 1.487 1.404 0 CA-C-O 120.837 0.351 . . . . 40.359999999999999 111.228 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' D' D ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -95.2 24.03 5.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 36.600000000000001 110.961 179.917 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -64.36 -25.05 67.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.26 -0.427 . . . . 31.710000000000001 110.988 -179.9 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' D' D ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.62 -48.24 81.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 28.350000000000001 111.209 -179.944 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -63.19 -44.2 96.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.295 -0.411 . . . . 32.159999999999997 110.911 179.957 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' D' D ' 57' ' ' ARG . . . . . . . . . . . . . 66.4 mtt-85 -62.1 -37.03 83.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 24.23 110.793 179.878 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' D' D ' 58' ' ' LEU . . . . . 0.776 HD22 HG23 ' B' ' 73' ' ' THR . 36.3 mt -62.96 -53.48 53.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.055 -0.521 . . . . 21.210000000000001 110.773 179.978 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' D' D ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.15 -40.07 57.74 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.976 -0.556 . . . . 20.32 111.004 -179.953 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' D' D ' 60' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -66.15 -34.58 78.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.157 -0.474 . . . . 22.460000000000001 110.589 179.843 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' D' D ' 61' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.7 -42.58 86.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 16.16 110.552 179.667 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' D' D ' 62' ' ' GLN . . . . . 0.983 ' O ' HG23 ' D' ' 66' ' ' VAL . 2.5 mm-40 -72.05 -48.34 45.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.89 -0.595 . . . . 10.039999999999999 111.302 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' D' D ' 63' ' ' SER . . . . . 0.419 ' HB2' ' HG3' ' C' ' 67' ' ' LYS . 1.8 p -51.68 -52.11 50.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.378 -0.374 . . . . 15.17 111.569 -179.294 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' D' D ' 64' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -57.3 -58.4 8.39 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 111.841 0.312 . . . . 13.460000000000001 111.841 -179.25 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' D' D ' 65' ' ' LEU . . . . . 0.528 HD21 ' HA ' ' D' ' 62' ' ' GLN . 1.6 pp -52.32 -32.73 39.36 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.856 -0.338 . . . . 8.6600000000000001 110.919 -179.586 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' D' D ' 66' ' ' VAL . . . . . 0.983 HG23 ' O ' ' D' ' 62' ' ' GLN . 93.7 t -61.15 -52.35 62.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.433 -0.348 . . . . 6.7000000000000002 111.006 179.736 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' D' D ' 67' ' ' LYS . . . . . 0.427 ' O ' ' HB2' ' D' ' 71' ' ' PHE . 7.8 ttmt -52.38 -35.77 52.27 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.294 -0.412 . . . . 6.5700000000000003 110.864 -179.82 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' D' D ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.53 -38.76 87.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.248 -0.433 . . . . 12.140000000000001 111.431 -179.688 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' D' D ' 69' ' ' MET . . . . . 0.685 ' HE1' HG13 ' D' ' 66' ' ' VAL . 2.5 ptt? -68.25 -39.04 82.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.878 0.37 . . . . 11.57 110.99 -179.677 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' D' D ' 70' ' ' VAL . . . . . 0.789 HG13 ' OH ' ' A' ' 78' ' ' TYR . 62.1 t -87.06 -25.04 6.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.175 -0.466 . . . . 12.42 111.661 -179.525 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' D' D ' 71' ' ' PHE . . . . . 0.427 ' HB2' ' O ' ' D' ' 67' ' ' LYS . 10.8 t80 -65.27 -36.94 85.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.836 0.35 . . . . 18.010000000000002 110.441 179.669 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -78.26 -44.32 25.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.115 -0.493 . . . . 25.350000000000001 110.525 179.575 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' D' D ' 73' ' ' THR . . . . . 0.726 HG23 HD22 ' B' ' 58' ' ' LEU . 53.0 m -57.77 -43.04 85.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.28 -0.418 . . . . 25.050000000000001 110.718 179.784 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' D' D ' 74' ' ' LEU . . . . . 0.598 HD13 ' HB2' ' C' ' 62' ' ' GLN . 51.5 mt -64.62 -43.0 95.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.107 -0.497 . . . . 25.43 110.771 -179.966 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' D' D ' 75' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -50.01 -40.7 45.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.277 -0.419 . . . . 25.859999999999999 110.694 179.865 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' D' D ' 76' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -79.99 -31.27 39.78 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.985 -0.552 . . . . 27.850000000000001 110.608 179.787 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' D' D ' 77' ' ' LEU . . . . . 0.599 HD21 HD12 ' B' ' 58' ' ' LEU . 23.8 mt -60.82 -38.24 84.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.044 -0.525 . . . . 28.559999999999999 110.824 179.922 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' D' D ' 78' ' ' TYR . . . . . 0.456 ' CB ' ' HB1' ' C' ' 55' ' ' ALA . 4.4 m-85 -84.34 -37.07 22.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 32.229999999999997 110.822 179.828 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' D' D ' 79' ' ' LYS . . . . . . . . . . . . . 2.4 mmmt -63.3 -22.26 66.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.073 -0.512 . . . . 44.109999999999999 111.142 179.998 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' D' D ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.97 -23.53 60.67 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.416 -0.356 . . . . 39.659999999999997 111.209 -179.812 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' D' D ' 81' ' ' THR . . . . . 0.422 HG23 ' O ' ' D' ' 81' ' ' THR . 8.5 t -125.94 61.39 1.26 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.354 -0.384 . . . . 39.880000000000003 110.943 179.94 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' D' D ' 82' ' ' THR . . . . . . . . . . . . . 4.4 t . . . . . 0 C--O 1.247 0.969 0 CA-C-O 118.219 -0.896 . . . . 47.649999999999999 110.878 -179.998 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.867 0.365 . . . . 45.049999999999997 111.099 . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -122.93 77.1 1.42 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.449 . . . . 40.560000000000002 111.021 -179.909 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 46.5 p-10 -53.6 -30.39 42.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 38.509999999999998 110.711 179.806 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.1 -41.64 97.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.397 -0.365 . . . . 34.939999999999998 110.519 179.665 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 50.0 tt0 -66.3 -50.33 64.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.102 -0.499 . . . . 30.149999999999999 110.338 179.504 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.442 ' HB3' ' NH1' ' A' ' 57' ' ' ARG . 3.4 mtm105 -61.5 -47.3 86.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.891 -0.595 . . . . 37.189999999999998 110.089 179.265 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.8 mt -51.79 -51.59 55.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.688 -0.687 . . . . 26.329999999999998 110.697 179.586 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -50.16 -39.03 42.25 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.053 -0.521 . . . . 20.370000000000001 110.892 179.783 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -69.64 -27.25 64.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.963 -0.562 . . . . 19.920000000000002 110.543 179.657 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -77.42 -50.51 12.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.07 -0.513 . . . . 22.140000000000001 110.605 179.831 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.704 ' HA ' HD12 ' A' ' 65' ' ' LEU . 1.0 OUTLIER -60.4 -43.03 97.09 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.965 -0.561 . . . . 25.030000000000001 110.537 179.714 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 66.8 p -60.86 -37.4 81.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.117 -0.492 . . . . 17.850000000000001 110.653 179.627 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -58.18 -42.65 86.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 25.23 110.613 179.749 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.704 HD12 ' HA ' ' A' ' 62' ' ' GLN . 6.9 mt -59.91 -39.68 86.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 17.98 110.541 179.756 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 20.0 t -66.28 -43.83 91.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.086 -0.506 . . . . 14.99 110.932 179.657 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.404 ' HG3' ' HB2' ' B' ' 63' ' ' SER . 43.9 tttt -58.12 -44.64 87.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.962 -0.563 . . . . 10.73 110.66 179.931 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 4.1 mtpt -59.69 -38.46 81.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.944 0.402 . . . . 12.279999999999999 110.714 179.822 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 47.4 ttp -66.83 -44.61 80.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.094 -0.503 . . . . 7.8300000000000001 110.698 179.747 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 71.1 t -71.44 -41.24 73.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.052 -0.522 . . . . 9.2899999999999991 110.937 179.983 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.489 ' CZ ' ' HD3' ' A' ' 75' ' ' LYS . 39.8 t80 -56.35 -58.29 8.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.792 0.33 . . . . 12.199999999999999 110.234 179.817 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -54.02 -44.4 70.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 11.390000000000001 110.462 179.677 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 19.9 m -64.01 -69.74 0.26 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.227 -0.442 . . . . 12.06 110.346 179.572 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.76 HD12 ' HB2' ' B' ' 62' ' ' GLN . 10.7 mt -50.69 -38.15 45.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.103 -0.499 . . . . 13.85 111.111 -179.952 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.489 ' HD3' ' CZ ' ' A' ' 71' ' ' PHE . 6.8 ttpp -53.04 -69.51 0.11 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.064 0.459 . . . . 13.81 110.385 179.63 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -63.57 -28.58 70.03 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.637 -0.71 . . . . 17.34 111.135 179.965 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.564 ' O ' HD12 ' A' ' 77' ' ' LEU . 1.9 tp -65.48 -56.22 13.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.488 -0.324 . . . . 21.449999999999999 110.91 -179.905 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.662 ' OH ' HG13 ' D' ' 70' ' ' VAL . 23.2 m-30 -63.18 -23.85 67.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.325 -0.398 . . . . 24.789999999999999 110.899 179.908 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.37 -29.43 62.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.349 -0.387 . . . . 26.73 110.851 179.944 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 4.1 mttt -78.69 -25.75 44.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 27.66 111.089 -179.802 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -65.21 -46.46 80.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.326 -0.397 . . . . 33.350000000000001 111.013 -179.994 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.4 p . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.274 -0.87 . . . . 36.380000000000003 110.91 179.969 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.817 0.341 . . . . 44.259999999999998 111.201 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -122.82 22.9 9.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 39.109999999999999 111.047 179.982 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 14.1 p-10 -63.04 -26.51 68.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.891 0.377 . . . . 33.93 110.776 179.811 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -54.0 -45.78 71.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.948 -0.569 . . . . 30.530000000000001 110.954 179.879 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.01 -51.0 52.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.026 -0.534 . . . . 30.07 110.579 179.782 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 51.1 mtp180 -54.94 -34.48 63.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 27.68 110.552 179.738 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 58' ' ' LEU . . . . . 0.985 HD22 HG23 ' D' ' 73' ' ' THR . 6.4 mt -66.47 -60.72 2.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.074 -0.512 . . . . 22.66 110.586 179.753 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -47.28 -33.34 5.51 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.965 -0.561 . . . . 19.539999999999999 110.873 179.792 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -64.44 -42.14 96.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.088 -0.505 . . . . 18.899999999999999 110.35 179.483 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -67.55 -37.23 82.39 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.985 -0.552 . . . . 11.43 110.359 179.509 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 62' ' ' GLN . . . . . 0.76 ' HB2' HD12 ' A' ' 74' ' ' LEU . 5.6 mm-40 -67.67 -43.07 81.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.915 -0.584 . . . . 11.16 110.382 179.505 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 63' ' ' SER . . . . . 0.404 ' HB2' ' HG3' ' A' ' 67' ' ' LYS . 0.1 OUTLIER -55.58 -64.09 0.96 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.949 -0.569 . . . . 16.710000000000001 110.884 179.972 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -49.44 -30.24 7.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.102 -0.499 . . . . 18.300000000000001 110.979 -179.898 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.11 -38.99 72.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 10.199999999999999 110.842 179.897 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 66' ' ' VAL . . . . . 0.746 HG23 ' O ' ' B' ' 62' ' ' GLN . 2.2 t -68.68 -39.33 80.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.139 -0.482 . . . . 8.2400000000000002 110.988 -179.882 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 67' ' ' LYS . . . . . 0.417 ' O ' ' N ' ' B' ' 71' ' ' PHE . 13.9 ttpt -57.24 -58.81 6.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.049 -0.523 . . . . 14.380000000000001 110.981 -179.898 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -52.37 -33.34 42.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.36 -0.382 . . . . 10.07 110.731 179.962 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 69' ' ' MET . . . . . 0.468 ' HE2' HG13 ' B' ' 66' ' ' VAL . 54.7 ttp -67.8 -54.16 21.35 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.251 -0.431 . . . . 10.960000000000001 110.935 179.953 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.741 HG13 ' OH ' ' C' ' 78' ' ' TYR . 35.6 t -75.37 -20.56 16.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.276 -0.42 . . . . 10.93 111.39 -179.859 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.417 ' N ' ' O ' ' B' ' 67' ' ' LYS . 17.6 t80 -61.99 -45.95 91.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.921 0.391 . . . . 18.170000000000002 110.478 179.76 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -69.49 -45.5 68.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.028 -0.533 . . . . 24.32 110.618 179.709 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 73' ' ' THR . . . . . 0.961 HG23 HD22 ' D' ' 58' ' ' LEU . 52.5 m -54.57 -48.95 71.47 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.197 -0.456 . . . . 22.98 110.792 179.848 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 74' ' ' LEU . . . . . 0.455 ' HA ' HD12 ' B' ' 77' ' ' LEU . 61.7 mt -59.48 -42.13 91.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.44 . . . . 27.02 110.86 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 3.1 tttp -50.18 -44.49 52.88 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.163 -0.471 . . . . 30.77 110.818 179.946 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 76' ' ' ASP . . . . . 0.404 ' HA ' ' CG ' ' B' ' 79' ' ' LYS . 0.2 OUTLIER -76.45 -26.31 55.29 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.963 -0.562 . . . . 28.41 110.749 179.869 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.504 HD11 ' CG ' ' C' ' 78' ' ' TYR . 19.6 mt -67.42 -34.92 78.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 27.859999999999999 110.837 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -77.39 -58.71 3.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 33.920000000000002 110.867 -179.972 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 79' ' ' LYS . . . . . 0.404 ' CG ' ' HA ' ' B' ' 76' ' ' ASP . 0.0 OUTLIER -53.43 -29.55 35.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.33 -0.396 . . . . 41.659999999999997 110.741 179.924 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.98 -23.37 45.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 41.469999999999999 110.955 179.868 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 81' ' ' THR . . . . . 0.431 HG23 ' O ' ' B' ' 81' ' ' THR . 3.3 t -152.35 94.92 1.98 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.247 -0.433 . . . . 40.359999999999999 110.844 179.938 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.281 -0.866 . . . . 48.75 110.911 179.972 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 120.864 0.364 . . . . 47.390000000000001 111.165 . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 53' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -122.91 77.03 1.41 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.072 -0.513 . . . . 35.82 111.012 -179.86 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 46.6 p-10 -53.6 -30.38 42.21 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.26 -0.427 . . . . 38.329999999999998 110.836 179.798 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.0 -41.66 96.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.925 0.393 . . . . 30.559999999999999 110.533 179.608 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 49.9 tt0 -66.34 -50.32 63.97 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.104 -0.498 . . . . 26.960000000000001 110.347 179.454 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 57' ' ' ARG . . . . . 0.437 ' NH1' ' HB3' ' C' ' 57' ' ' ARG . 3.5 mtm105 -61.56 -47.11 86.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.985 -0.552 . . . . 27.710000000000001 110.101 179.266 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 6.8 mt -51.84 -51.74 54.43 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.721 -0.672 . . . . 29.399999999999999 110.585 179.565 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -50.11 -38.94 41.27 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.115 -0.493 . . . . 24.559999999999999 110.833 179.892 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -69.77 -27.37 64.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.99 -0.55 . . . . 27.210000000000001 110.477 179.702 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -77.19 -50.59 12.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.029 -0.532 . . . . 27.010000000000002 110.642 179.764 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 62' ' ' GLN . . . . . 0.689 ' HA ' HD12 ' C' ' 65' ' ' LEU . 1.0 OUTLIER -60.25 -43.19 96.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.923 -0.58 . . . . 19.09 110.62 179.671 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' C' C ' 63' ' ' SER . . . . . . . . . . . . . 64.3 p -60.77 -37.38 81.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.027 -0.533 . . . . 16.140000000000001 110.536 179.705 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -58.19 -42.83 86.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 15.789999999999999 110.602 179.761 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 65' ' ' LEU . . . . . 0.689 HD12 ' HA ' ' C' ' 62' ' ' GLN . 7.0 mt -59.78 -39.76 86.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 17.739999999999998 110.503 179.72 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' C' C ' 66' ' ' VAL . . . . . . . . . . . . . 19.5 t -66.27 -43.71 91.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 9.9299999999999997 110.793 179.611 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 67' ' ' LYS . . . . . 0.444 ' HG3' ' CB ' ' D' ' 63' ' ' SER . 42.2 tttt -57.71 -45.23 86.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.078 -0.51 . . . . 16.969999999999999 110.681 179.925 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' C' C ' 68' ' ' LYS . . . . . . . . . . . . . 4.1 mtpt -59.7 -38.26 81.11 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.221 -0.445 . . . . 22.420000000000002 110.682 -179.959 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 69' ' ' MET . . . . . . . . . . . . . 47.6 ttp -66.97 -44.53 80.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.476 . . . . 8.8499999999999996 110.719 179.763 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 68.1 t -71.38 -41.02 73.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.069 -0.514 . . . . 6.4100000000000001 111.121 179.919 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 71' ' ' PHE . . . . . 0.488 ' CZ ' ' HD3' ' C' ' 75' ' ' LYS . 40.1 t80 -56.72 -58.35 8.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.755 0.312 . . . . 17.41 110.24 179.686 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -53.86 -44.34 70.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 11.5 110.525 179.648 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 73' ' ' THR . . . . . . . . . . . . . 19.9 m -64.23 -69.67 0.27 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.136 -0.484 . . . . 11.539999999999999 110.312 179.605 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 74' ' ' LEU . . . . . 0.73 HD12 ' HB2' ' D' ' 62' ' ' GLN . 10.8 mt -50.59 -38.4 45.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 18.469999999999999 111.068 -179.956 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' C' C ' 75' ' ' LYS . . . . . 0.488 ' HD3' ' CZ ' ' C' ' 71' ' ' PHE . 6.9 ttpp -52.83 -69.7 0.11 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.104 0.478 . . . . 20.050000000000001 110.383 179.603 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' C' C ' 76' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -63.51 -28.52 70.01 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.685 -0.689 . . . . 16.32 111.171 -179.988 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 77' ' ' LEU . . . . . 0.551 ' O ' HD12 ' C' ' 77' ' ' LEU . 2.0 tp -65.66 -56.31 12.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.418 -0.356 . . . . 19.41 110.788 -179.822 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' C' C ' 78' ' ' TYR . . . . . 0.741 ' OH ' HG13 ' B' ' 70' ' ' VAL . 23.0 m-30 -63.07 -23.81 67.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.366 -0.379 . . . . 26.300000000000001 110.974 179.853 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.33 -29.61 62.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.315 -0.402 . . . . 27.289999999999999 110.781 179.922 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 4.3 mttt -78.44 -25.69 46.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.346 -0.388 . . . . 30.469999999999999 111.16 -179.817 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -65.33 -46.28 80.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.271 -0.422 . . . . 34.340000000000003 110.936 -179.85 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' C' C ' 82' ' ' THR . . . . . 0.408 ' H ' HG23 ' C' ' 82' ' ' THR . 3.6 p . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.271 -0.871 . . . . 39.539999999999999 110.963 -179.926 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' D' D ' 52' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? . . . . . 0 N--CA 1.487 1.401 0 CA-C-O 120.853 0.358 . . . . 41.93 111.092 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' D' D ' 53' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -122.91 22.86 9.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 40.329999999999998 111.093 -179.976 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 14.0 p-10 -63.11 -26.48 68.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.954 0.406 . . . . 33.5 110.753 179.833 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' D' D ' 55' ' ' ALA . . . . . . . . . . . . . . . -54.15 -45.65 72.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.065 -0.516 . . . . 32.460000000000001 110.892 179.841 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.94 -50.9 53.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.088 -0.505 . . . . 30.09 110.681 179.738 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' D' D ' 57' ' ' ARG . . . . . . . . . . . . . 50.9 mtp180 -55.16 -34.44 63.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.063 -0.517 . . . . 23.27 110.564 179.756 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' D' D ' 58' ' ' LEU . . . . . 0.961 HD22 HG23 ' B' ' 73' ' ' THR . 6.3 mt -66.45 -60.54 2.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.971 -0.559 . . . . 18.609999999999999 110.645 179.693 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' D' D ' 59' ' ' ALA . . . . . . . . . . . . . . . -47.45 -33.37 6.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.878 -0.601 . . . . 18.559999999999999 110.938 179.829 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' D' D ' 60' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -64.4 -41.87 96.42 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.121 -0.491 . . . . 24.690000000000001 110.311 179.454 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' D' D ' 61' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -67.8 -37.31 81.84 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.06 -0.518 . . . . 17.190000000000001 110.377 179.44 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' D' D ' 62' ' ' GLN . . . . . 0.767 ' O ' HG23 ' D' ' 66' ' ' VAL . 5.6 mm-40 -67.66 -42.58 81.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.958 -0.564 . . . . 15.18 110.372 179.496 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' D' D ' 63' ' ' SER . . . . . 0.444 ' CB ' ' HG3' ' C' ' 67' ' ' LYS . 0.1 OUTLIER -56.09 -64.4 0.87 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.878 -0.601 . . . . 12.630000000000001 110.956 179.84 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' D' D ' 64' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -49.09 -30.34 6.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 7.5599999999999996 110.964 -179.997 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' D' D ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.01 -39.42 72.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.488 . . . . 5.4900000000000002 110.811 179.863 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' D' D ' 66' ' ' VAL . . . . . 0.767 HG23 ' O ' ' D' ' 62' ' ' GLN . 2.2 t -68.43 -38.79 79.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.249 -0.432 . . . . 6.0899999999999999 111.104 -179.943 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' D' D ' 67' ' ' LYS . . . . . 0.4 ' O ' ' N ' ' D' ' 71' ' ' PHE . 14.0 ttpt -57.75 -58.81 6.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.175 -0.466 . . . . 15.970000000000001 110.922 -179.86 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' D' D ' 68' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -52.15 -33.47 40.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.45 -0.341 . . . . 18.800000000000001 110.743 179.95 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' D' D ' 69' ' ' MET . . . . . 0.497 ' HE2' HG13 ' D' ' 66' ' ' VAL . 54.8 ttp -67.69 -54.35 20.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 13.1 110.991 179.959 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' D' D ' 70' ' ' VAL . . . . . 0.662 HG13 ' OH ' ' A' ' 78' ' ' TYR . 37.3 t -75.03 -20.79 16.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 15.5 111.401 -179.922 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' D' D ' 71' ' ' PHE . . . . . 0.4 ' N ' ' O ' ' D' ' 67' ' ' LYS . 17.5 t80 -61.85 -46.0 91.34 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.918 0.389 . . . . 25.02 110.512 179.753 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -69.4 -45.56 68.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.056 -0.52 . . . . 29.030000000000001 110.558 179.735 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' D' D ' 73' ' ' THR . . . . . 0.985 HG23 HD22 ' B' ' 58' ' ' LEU . 53.3 m -54.58 -49.1 71.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 22.100000000000001 110.778 179.875 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' D' D ' 74' ' ' LEU . . . . . 0.457 ' HA ' HD12 ' D' ' 77' ' ' LEU . 60.8 mt -59.42 -41.99 90.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 20.989999999999998 110.857 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' D' D ' 75' ' ' LYS . . . . . . . . . . . . . 3.0 tttp -50.32 -44.37 54.18 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.23 -0.441 . . . . 26.690000000000001 110.807 179.894 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' D' D ' 76' ' ' ASP . . . . . 0.405 ' HA ' ' CG ' ' D' ' 79' ' ' LYS . 0.2 OUTLIER -76.53 -26.27 55.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.057 -0.519 . . . . 30.949999999999999 110.684 179.879 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' D' D ' 77' ' ' LEU . . . . . 0.457 HD12 ' HA ' ' D' ' 74' ' ' LEU . 19.6 mt -67.43 -34.78 77.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.064 -0.517 . . . . 30.09 110.93 179.978 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' D' D ' 78' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -77.68 -58.17 3.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 31.949999999999999 111.012 -179.996 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' D' D ' 79' ' ' LYS . . . . . 0.405 ' CG ' ' HA ' ' D' ' 76' ' ' ASP . 0.0 OUTLIER -53.93 -29.27 41.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.326 -0.397 . . . . 40.780000000000001 110.726 179.927 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' D' D ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.26 -23.25 46.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.093 -0.503 . . . . 39.689999999999998 110.882 179.8 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' D' D ' 81' ' ' THR . . . . . 0.427 HG23 ' O ' ' D' ' 81' ' ' THR . 3.3 t -152.37 94.83 1.96 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.324 -0.398 . . . . 39.57 110.934 179.961 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' D' D ' 82' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.23 -0.891 . . . . 46.200000000000003 110.878 -179.986 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.727 0.298 . . . . 43.140000000000001 111.189 . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.425 ' OD1' ' HB3' ' A' ' 55' ' ' ALA . 17.7 p30 -161.09 -177.87 6.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 38.689999999999998 111.096 -179.951 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -73.44 -28.63 62.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 40.68 111.016 179.947 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.425 ' HB3' ' OD1' ' A' ' 53' ' ' ASN . . . -63.04 -39.47 94.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.897 0.38 . . . . 34.409999999999997 110.583 179.633 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.28 -55.98 25.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.077 -0.51 . . . . 29.68 110.38 179.431 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 54.7 ttp180 -64.62 -49.07 72.51 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.866 -0.607 . . . . 36.68 110.257 179.451 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.631 ' C ' HD13 ' A' ' 58' ' ' LEU . 1.3 tm? -54.78 -51.24 66.36 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.815 -0.629 . . . . 31.280000000000001 110.298 179.435 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.522 ' N ' HD13 ' A' ' 58' ' ' LEU . . . -58.25 -44.03 88.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.989 -0.55 . . . . 24.309999999999999 110.862 179.541 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -52.18 -37.35 54.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.048 -0.524 . . . . 22.739999999999998 110.763 179.897 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -72.37 -41.5 66.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 22.510000000000002 110.847 179.929 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.573 ' O ' HG23 ' A' ' 66' ' ' VAL . 69.9 mm-40 -63.21 -39.83 95.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.116 -0.493 . . . . 19.809999999999999 110.619 179.756 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 14.9 p -71.08 -33.0 69.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.087 -0.506 . . . . 18.32 110.628 179.772 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -69.65 -34.14 73.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 23.780000000000001 110.699 179.811 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.2 mt -70.3 -40.53 74.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.055 -0.52 . . . . 19.82 110.768 179.884 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.573 HG23 ' O ' ' A' ' 62' ' ' GLN . 45.4 t -69.2 -40.58 80.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.135 -0.484 . . . . 12.99 110.874 179.745 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 24.1 tttt -64.19 -43.71 94.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.996 -0.547 . . . . 8.9299999999999997 110.719 179.844 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 21.3 mtpt -60.82 -38.35 85.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 19.09 110.558 179.682 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 20.7 ttp -65.59 -43.44 89.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.086 -0.506 . . . . 9.6799999999999997 110.686 179.815 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 78.6 t -71.28 -42.71 74.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.109 -0.496 . . . . 8.9100000000000001 110.969 179.942 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.436 ' CZ ' ' HD3' ' A' ' 75' ' ' LYS . 10.7 t80 -51.86 -60.48 3.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.819 0.342 . . . . 20.25 110.505 179.738 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -53.35 -47.73 69.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 13.859999999999999 110.665 179.795 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.2 m -60.19 -69.86 0.2 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.362 -0.381 . . . . 8.3699999999999992 110.301 179.65 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.509 HD12 ' HB2' ' B' ' 62' ' ' GLN . 15.2 mt -51.06 -37.2 44.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.082 -0.508 . . . . 14.98 111.112 -179.945 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.436 ' HD3' ' CZ ' ' A' ' 71' ' ' PHE . 14.7 ttpt -55.67 -67.41 0.29 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.127 0.489 . . . . 18.960000000000001 110.135 179.467 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.13 -30.34 71.51 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.561 -0.745 . . . . 19.149999999999999 110.848 179.695 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.602 ' O ' HD12 ' A' ' 77' ' ' LEU . 1.2 tp -65.25 -56.04 14.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.374 -0.375 . . . . 21.030000000000001 110.539 179.947 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 22.5 m-30 -62.17 -26.37 68.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.913 0.387 . . . . 28.170000000000002 110.417 179.454 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.15 -30.08 68.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.009 -0.541 . . . . 26.41 110.708 179.821 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.7 tttt -59.96 -37.97 81.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 31.68 110.732 179.915 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 32.3 p -64.78 -56.51 13.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.975 -0.557 . . . . 34.490000000000002 110.88 179.923 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 29.5 p . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.274 -0.87 . . . . 39.859999999999999 110.97 179.996 . . . . . . . . 0 0 . 1 . 026 nuclear build full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 16.9 mtm-85 . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.803 0.335 . . . . 46.0 111.227 . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' B' B ' 53' ' ' ASN . . . . . 0.657 ' OD1' ' HB3' ' B' ' 55' ' ' ALA . 1.5 p30 179.15 173.36 0.79 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 36.719999999999999 110.961 179.949 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -55.19 -27.59 46.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 30.859999999999999 110.921 -179.975 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 55' ' ' ALA . . . . . 0.657 ' HB3' ' OD1' ' B' ' 53' ' ' ASN . . . -51.09 -40.26 57.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.299 -0.41 . . . . 28.399999999999999 110.872 179.839 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -72.69 -49.72 29.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.014 -0.539 . . . . 30.670000000000002 110.578 179.712 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 31.5 mtt85 -56.15 -36.36 68.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.117 -0.492 . . . . 22.82 110.531 179.803 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 58' ' ' LEU . . . . . 0.782 HD22 HG23 ' D' ' 73' ' ' THR . 51.7 mt -66.68 -62.44 1.45 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.028 -0.533 . . . . 19.68 110.626 179.682 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -47.92 -29.36 3.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.78 -0.645 . . . . 19.469999999999999 111.054 179.896 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 62.8 t0 -79.24 -33.05 43.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 23.02 110.571 179.781 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 61' ' ' GLU . . . . . 0.402 ' O ' ' HG2' ' B' ' 64' ' ' GLU . 0.2 OUTLIER -70.02 -41.0 74.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 17.390000000000001 110.212 179.448 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' B' B ' 62' ' ' GLN . . . . . 0.509 ' HB2' HD12 ' A' ' 74' ' ' LEU . 2.0 mm-40 -73.67 -47.64 38.27 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.819 -0.628 . . . . 10.31 110.485 179.736 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 48.9 p -52.11 -55.65 19.51 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.316 -0.402 . . . . 14.24 110.549 179.91 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 64' ' ' GLU . . . . . 0.437 ' HG3' ' N ' ' B' ' 65' ' ' LEU . 10.3 pt-20 -52.71 -36.81 58.02 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 116.226 -0.443 . . . . 10.279999999999999 110.201 179.383 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 65' ' ' LEU . . . . . 0.437 ' N ' ' HG3' ' B' ' 64' ' ' GLU . 0.2 OUTLIER -62.74 -37.8 88.02 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.826 -0.624 . . . . 7.7699999999999996 110.489 179.412 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' B' B ' 66' ' ' VAL . . . . . 0.643 HG13 ' CE ' ' B' ' 69' ' ' MET . 23.3 t -68.52 -36.75 76.05 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.145 -0.479 . . . . 6.5300000000000002 111.446 -179.958 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 67' ' ' LYS . . . . . 0.432 ' O ' ' CB ' ' B' ' 71' ' ' PHE . 3.4 tttm -68.97 -33.91 74.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.329 -0.396 . . . . 6.25 110.905 -179.796 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 9.9 mttp -75.4 -38.68 59.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.256 -0.429 . . . . 14.970000000000001 110.857 179.981 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 69' ' ' MET . . . . . 0.643 ' CE ' HG13 ' B' ' 66' ' ' VAL . 18.5 ptt? -76.2 -33.88 59.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.301 -0.409 . . . . 12.07 110.901 179.889 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.619 HG23 ' O ' ' B' ' 66' ' ' VAL . 68.7 t -84.48 -25.69 7.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 13.359999999999999 111.317 -179.798 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.432 ' CB ' ' O ' ' B' ' 67' ' ' LYS . 21.2 t80 -71.67 -34.58 69.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.888 0.375 . . . . 20.039999999999999 110.296 179.536 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.35 -46.66 47.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.987 -0.551 . . . . 26.309999999999999 110.555 179.621 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 73' ' ' THR . . . . . 0.736 HG23 HD22 ' D' ' 58' ' ' LEU . 95.1 m -52.65 -52.21 56.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 25.050000000000001 110.6 179.772 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 74' ' ' LEU . . . . . 0.63 HD23 HD12 ' B' ' 77' ' ' LEU . 48.7 mt -56.73 -42.52 79.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 24.0 110.645 179.728 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 3.4 tptp -52.64 -44.03 65.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.234 -0.439 . . . . 25.09 110.35 179.549 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -74.37 -29.47 61.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.825 -0.625 . . . . 28.390000000000001 110.407 179.454 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.63 HD12 HD23 ' B' ' 74' ' ' LEU . 27.5 mt -63.64 -52.0 62.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.883 -0.599 . . . . 29.77 110.651 179.845 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -73.34 -37.37 66.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 31.870000000000001 110.605 179.761 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 27.3 ttpp -53.02 -37.84 61.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.964 -0.562 . . . . 42.850000000000001 110.886 179.958 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.36 -24.24 66.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.106 -0.497 . . . . 39.340000000000003 111.0 -179.979 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -143.42 75.69 1.49 Allowed 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 116.226 -0.443 . . . . 39.280000000000001 110.949 179.952 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.183 -0.913 . . . . 45.259999999999998 110.904 -179.926 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.817 0.341 . . . . 41.119999999999997 111.141 . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 53' ' ' ASN . . . . . 0.434 ' OD1' ' HB3' ' C' ' 55' ' ' ALA . 17.8 p30 -161.11 -177.82 6.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 36.5 111.032 -179.984 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -73.55 -28.64 61.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 35.600000000000001 110.921 -179.923 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 55' ' ' ALA . . . . . 0.434 ' HB3' ' OD1' ' C' ' 53' ' ' ASN . . . -62.98 -39.54 95.0 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.385 -0.37 . . . . 31.699999999999999 110.524 179.71 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.3 -55.88 26.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.025 -0.534 . . . . 27.859999999999999 110.375 179.546 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' C' C ' 57' ' ' ARG . . . . . . . . . . . . . 54.7 ttp180 -64.69 -49.14 72.08 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.904 -0.589 . . . . 31.960000000000001 110.231 179.477 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 58' ' ' LEU . . . . . 0.621 ' C ' HD13 ' C' ' 58' ' ' LEU . 1.3 tm? -54.71 -51.33 65.93 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.767 -0.651 . . . . 24.949999999999999 110.251 179.39 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' C' C ' 59' ' ' ALA . . . . . 0.513 ' N ' HD13 ' C' ' 58' ' ' LEU . . . -58.25 -43.89 88.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.106 -0.497 . . . . 22.719999999999999 110.861 179.584 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -52.38 -37.08 55.5 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.024 -0.534 . . . . 25.199999999999999 110.796 179.871 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -72.53 -41.65 65.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.274 -0.421 . . . . 26.77 110.772 179.869 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' C' C ' 62' ' ' GLN . . . . . 0.56 ' O ' HG23 ' C' ' 66' ' ' VAL . 70.5 mm-40 -62.99 -39.83 95.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.093 -0.503 . . . . 23.289999999999999 110.682 179.727 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' C' C ' 63' ' ' SER . . . . . . . . . . . . . 14.8 p -71.0 -33.05 70.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.062 -0.517 . . . . 16.210000000000001 110.658 179.787 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -69.73 -34.02 73.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.083 -0.508 . . . . 22.219999999999999 110.713 179.836 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 65' ' ' LEU . . . . . . . . . . . . . 1.2 mt -70.25 -40.75 74.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 14.390000000000001 110.69 179.814 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 66' ' ' VAL . . . . . 0.56 HG23 ' O ' ' C' ' 62' ' ' GLN . 45.7 t -68.96 -40.92 81.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 12.18 110.873 179.771 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' C' C ' 67' ' ' LYS . . . . . . . . . . . . . 24.1 tttt -63.99 -43.71 94.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.994 -0.548 . . . . 19.010000000000002 110.713 179.907 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 68' ' ' LYS . . . . . . . . . . . . . 21.1 mtpt -60.87 -38.25 84.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 16.559999999999999 110.581 179.737 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 69' ' ' MET . . . . . . . . . . . . . 20.8 ttp -65.73 -43.29 89.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.05 -0.523 . . . . 6.8200000000000003 110.704 179.764 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 77.8 t -71.33 -42.9 74.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 6.5 110.872 179.863 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 71' ' ' PHE . . . . . 0.438 ' CZ ' ' HD3' ' C' ' 75' ' ' LYS . 10.6 t80 -51.55 -60.65 2.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.784 0.325 . . . . 8.5500000000000007 110.475 179.671 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -53.34 -47.35 69.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 10.09 110.671 179.918 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 73' ' ' THR . . . . . . . . . . . . . 18.1 m -60.7 -69.76 0.21 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.318 -0.401 . . . . 14.779999999999999 110.277 179.742 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 74' ' ' LEU . . . . . 0.514 HD12 ' HB2' ' D' ' 62' ' ' GLN . 15.5 mt -51.14 -36.98 43.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.059 -0.519 . . . . 17.399999999999999 111.134 -179.965 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' C' C ' 75' ' ' LYS . . . . . 0.438 ' HD3' ' CZ ' ' C' ' 71' ' ' PHE . 14.8 ttpt -55.91 -67.43 0.29 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.128 0.49 . . . . 17.460000000000001 110.073 179.442 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' C' C ' 76' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.03 -30.45 71.61 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.541 -0.754 . . . . 14.76 110.903 179.676 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' C' C ' 77' ' ' LEU . . . . . 0.608 ' O ' HD12 ' C' ' 77' ' ' LEU . 1.3 tp -65.16 -55.97 15.58 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.407 -0.36 . . . . 20.289999999999999 110.564 179.968 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' C' C ' 78' ' ' TYR . . . . . . . . . . . . . 22.4 m-30 -62.29 -26.35 68.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.291 -0.413 . . . . 23.93 110.369 179.501 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.13 -29.9 68.05 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.026 -0.534 . . . . 27.93 110.743 179.893 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 3.7 tttt -60.11 -37.87 81.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.477 . . . . 27.41 110.707 179.878 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 81' ' ' THR . . . . . 0.414 HG21 HD13 ' B' ' 77' ' ' LEU . 31.5 p -64.83 -56.47 13.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.027 -0.533 . . . . 32.990000000000002 110.893 179.952 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' C' C ' 82' ' ' THR . . . . . . . . . . . . . 29.8 p . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.245 -0.883 . . . . 37.850000000000001 110.948 -179.985 . . . . . . . . 0 0 . 1 . 026 nuclear build full ' D' D ' 52' ' ' ARG . . . . . . . . . . . . . 16.8 mtm-85 . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 120.827 0.346 . . . . 45.390000000000001 111.266 . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' D' D ' 53' ' ' ASN . . . . . 0.662 ' OD1' ' HB3' ' D' ' 55' ' ' ALA . 1.5 p30 178.82 172.96 0.75 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.231 -0.44 . . . . 40.259999999999998 110.927 179.989 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -54.65 -27.78 42.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.096 -0.502 . . . . 34.009999999999998 110.975 -179.963 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' D' D ' 55' ' ' ALA . . . . . 0.662 ' HB3' ' OD1' ' D' ' 53' ' ' ASN . . . -51.01 -40.61 58.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.303 -0.408 . . . . 33.039999999999999 110.772 179.874 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -72.46 -49.81 30.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.103 -0.499 . . . . 29.309999999999999 110.581 179.769 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' D' D ' 57' ' ' ARG . . . . . . . . . . . . . 31.3 mtt85 -56.01 -36.56 68.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.468 . . . . 32.140000000000001 110.548 179.698 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' D' D ' 58' ' ' LEU . . . . . 0.736 HD22 HG23 ' B' ' 73' ' ' THR . 50.7 mt -66.65 -62.1 1.63 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 20.109999999999999 110.651 179.764 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' D' D ' 59' ' ' ALA . . . . . . . . . . . . . . . -48.15 -29.26 3.52 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.845 -0.616 . . . . 16.920000000000002 111.059 179.891 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' D' D ' 60' ' ' ASP . . . . . . . . . . . . . 62.5 t0 -79.39 -33.01 43.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.084 -0.507 . . . . 18.260000000000002 110.526 179.777 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' D' D ' 61' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.81 -41.17 75.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.104 -0.498 . . . . 12.800000000000001 110.27 179.351 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' D' D ' 62' ' ' GLN . . . . . 0.514 ' HB2' HD12 ' C' ' 74' ' ' LEU . 2.1 mm-40 -73.46 -47.54 40.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.734 -0.666 . . . . 12.74 110.603 179.671 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' D' D ' 63' ' ' SER . . . . . . . . . . . . . 50.5 p -52.31 -55.69 19.74 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.274 -0.421 . . . . 14.77 110.529 -179.992 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' D' D ' 64' ' ' GLU . . . . . 0.432 ' HG3' ' N ' ' D' ' 65' ' ' LEU . 10.2 pt-20 -52.69 -36.68 57.62 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 116.141 -0.481 . . . . 15.08 110.124 179.473 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' D' D ' 65' ' ' LEU . . . . . 0.432 ' N ' ' HG3' ' D' ' 64' ' ' GLU . 0.2 OUTLIER -62.77 -37.88 88.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.869 -0.605 . . . . 7.2599999999999998 110.43 179.399 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' D' D ' 66' ' ' VAL . . . . . 0.651 HG13 ' CE ' ' D' ' 69' ' ' MET . 22.3 t -68.54 -36.72 75.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.122 -0.49 . . . . 8.5099999999999998 111.448 -179.971 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' D' D ' 67' ' ' LYS . . . . . 0.423 ' O ' ' CB ' ' D' ' 71' ' ' PHE . 3.5 tttm -68.95 -33.9 74.47 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.357 -0.383 . . . . 20.210000000000001 110.919 -179.796 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' D' D ' 68' ' ' LYS . . . . . . . . . . . . . 10.0 mttp -75.27 -38.54 60.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.319 -0.4 . . . . 12.130000000000001 110.944 179.958 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' D' D ' 69' ' ' MET . . . . . 0.651 ' CE ' HG13 ' D' ' 66' ' ' VAL . 18.6 ptt? -76.44 -33.63 58.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.32 -0.4 . . . . 11.82 110.823 179.915 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' D' D ' 70' ' ' VAL . . . . . 0.615 HG23 ' O ' ' D' ' 66' ' ' VAL . 67.8 t -84.65 -25.83 7.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.188 -0.46 . . . . 13.869999999999999 111.244 -179.824 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' D' D ' 71' ' ' PHE . . . . . 0.423 ' CB ' ' O ' ' D' ' 67' ' ' LYS . 21.1 t80 -71.32 -34.69 70.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.988 0.423 . . . . 21.219999999999999 110.413 179.437 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.31 -47.02 46.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.961 -0.563 . . . . 26.359999999999999 110.544 179.642 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' D' D ' 73' ' ' THR . . . . . 0.782 HG23 HD22 ' B' ' 58' ' ' LEU . 96.2 m -52.36 -52.3 54.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 20.32 110.574 179.735 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' D' D ' 74' ' ' LEU . . . . . 0.624 HD23 HD12 ' D' ' 77' ' ' LEU . 48.8 mt -56.53 -42.75 78.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 24.879999999999999 110.661 179.74 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' D' D ' 75' ' ' LYS . . . . . . . . . . . . . 3.3 tptp -52.4 -44.24 65.23 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.091 0.472 . . . . 31.129999999999999 110.319 179.572 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' D' D ' 76' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -74.34 -29.33 61.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.814 -0.63 . . . . 31.379999999999999 110.487 179.544 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' D' D ' 77' ' ' LEU . . . . . 0.624 HD12 HD23 ' D' ' 74' ' ' LEU . 27.4 mt -63.6 -52.09 62.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.89 -0.596 . . . . 30.5 110.64 179.787 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' D' D ' 78' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -73.5 -37.04 65.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.034 -0.53 . . . . 35.299999999999997 110.635 179.79 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' D' D ' 79' ' ' LYS . . . . . . . . . . . . . 27.4 ttpp -53.45 -37.47 62.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.945 -0.571 . . . . 39.420000000000002 110.902 -179.999 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' D' D ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.58 -24.36 66.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 44.270000000000003 110.937 -179.995 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' D' D ' 81' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -143.27 75.58 1.49 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 41.93 110.93 -179.984 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' D' D ' 82' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.094 0 CA-C-O 118.264 -0.874 . . . . 48.850000000000001 110.883 179.989 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 11.0 mmt180 . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 120.824 0.345 . . . . 45.890000000000001 111.266 . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -104.65 23.93 12.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 42.270000000000003 111.127 -179.903 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.34 -34.12 36.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.32 -0.4 . . . . 39.630000000000003 110.757 179.919 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.08 -49.16 71.13 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.252 -0.431 . . . . 35.68 110.65 179.664 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -63.23 -44.03 96.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.043 -0.526 . . . . 30.760000000000002 110.317 179.486 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 41.9 ttm-85 -67.72 -42.77 81.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.834 -0.621 . . . . 37.450000000000003 110.348 179.493 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.574 HD13 ' OH ' ' B' ' 78' ' ' TYR . 12.0 mt -57.91 -48.52 79.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.805 -0.634 . . . . 27.609999999999999 110.648 179.655 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.92 -41.57 62.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.094 -0.503 . . . . 20.66 110.78 179.883 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -72.56 -31.54 65.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.122 -0.49 . . . . 19.289999999999999 110.589 179.85 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.96 -51.68 30.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 21.57 110.76 179.771 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.699 ' HA ' HD12 ' A' ' 65' ' ' LEU . 47.7 mm-40 -58.2 -44.64 88.22 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.989 -0.55 . . . . 24.390000000000001 110.664 179.778 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.3 p -62.76 -35.42 79.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.488 . . . . 18.32 110.761 179.849 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -57.64 -41.94 82.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.079 -0.509 . . . . 26.789999999999999 110.723 179.955 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.699 HD12 ' HA ' ' A' ' 62' ' ' GLN . 2.1 mt -64.41 -39.17 93.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.264 -0.426 . . . . 18.800000000000001 110.615 179.797 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 49.1 t -69.5 -45.91 77.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 15.119999999999999 111.012 179.82 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 17.0 tttm -59.24 -57.68 11.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.29 -0.414 . . . . 9.5600000000000005 110.355 179.708 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.71 -31.43 64.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.475 . . . . 13.59 110.213 179.503 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 13.6 tmm? -69.49 -42.7 74.42 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.952 -0.567 . . . . 8.6099999999999994 110.467 179.523 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.407 HG13 ' HG ' ' A' ' 74' ' ' LEU . 44.1 t -69.52 -33.13 55.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.032 -0.531 . . . . 9.2300000000000004 110.575 179.678 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.431 ' O ' ' CB ' ' A' ' 75' ' ' LYS . 10.8 t80 -55.08 -58.39 7.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.338 -0.392 . . . . 14.77 110.344 179.641 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -52.44 -50.92 61.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 13.300000000000001 110.722 179.834 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.8 m -57.17 -71.17 0.1 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.363 -0.38 . . . . 10.789999999999999 110.287 179.702 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.705 HD12 ' HB2' ' B' ' 62' ' ' GLN . 12.9 mt -49.75 -37.36 29.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 13.029999999999999 111.013 -179.925 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.431 ' CB ' ' O ' ' A' ' 71' ' ' PHE . 2.9 ttpt -54.9 -68.75 0.16 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.142 -0.481 . . . . 13.99 110.367 179.406 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.37 -25.04 67.7 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.541 -0.754 . . . . 17.420000000000002 111.016 179.813 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.624 ' C ' HD12 ' A' ' 77' ' ' LEU . 0.7 OUTLIER -71.72 -65.56 0.75 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.311 -0.404 . . . . 21.219999999999999 110.765 -179.917 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.527 ' CD1' HD11 ' D' ' 77' ' ' LEU . 18.9 m-85 -52.5 -32.45 40.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.814 0.34 . . . . 25.780000000000001 110.575 179.714 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 14.8 ttmt -58.77 -35.12 72.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 23.859999999999999 110.577 179.74 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 7.9 ttpt -70.06 -29.06 65.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 28.59 110.731 179.777 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -71.27 -36.84 71.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 34.090000000000003 110.97 179.973 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.273 -0.87 . . . . 37.909999999999997 110.948 -179.968 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.485 1.314 0 CA-C-O 120.842 0.353 . . . . 44.590000000000003 111.216 . . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -108.86 24.4 13.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 39.299999999999997 110.872 179.927 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.26 -31.63 72.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.225 -0.443 . . . . 34.009999999999998 110.909 -179.915 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.08 -44.47 95.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.431 . . . . 30.469999999999999 110.942 179.881 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.34 -48.99 71.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.074 -0.512 . . . . 34.530000000000001 110.7 179.806 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 78.9 mtt180 -57.3 -34.24 68.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.106 -0.497 . . . . 28.91 110.761 179.91 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 58' ' ' LEU . . . . . 0.835 HD22 HG23 ' D' ' 73' ' ' THR . 17.2 mt -67.58 -59.4 3.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.079 -0.509 . . . . 22.989999999999998 110.994 -179.91 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -46.36 -34.75 4.83 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.941 -0.572 . . . . 20.239999999999998 111.11 179.967 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -62.33 -48.67 78.82 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.0 -0.545 . . . . 18.399999999999999 110.535 179.746 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 91.9 mt-10 -61.8 -33.38 74.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.1 -0.5 . . . . 12.27 110.556 179.739 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 62' ' ' GLN . . . . . 0.721 ' O ' HG23 ' B' ' 66' ' ' VAL . 6.1 mm-40 -71.95 -49.54 36.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.112 -0.494 . . . . 11.289999999999999 110.549 179.707 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 1.3 m -52.05 -60.26 3.4 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.125 -0.489 . . . . 17.059999999999999 110.763 -179.969 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 26.4 pt-20 -51.08 -35.32 34.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 18.75 110.793 179.888 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.33 -41.16 81.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 10.25 110.697 179.776 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 66' ' ' VAL . . . . . 0.721 HG23 ' O ' ' B' ' 62' ' ' GLN . 17.6 t -64.55 -35.7 75.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.268 -0.424 . . . . 8.4100000000000001 111.107 179.923 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 67' ' ' LYS . . . . . 0.403 ' O ' ' N ' ' B' ' 71' ' ' PHE . 11.8 tttt -63.05 -53.11 58.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 13.58 110.922 -179.901 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.11 -30.68 64.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.896 0.379 . . . . 8.6099999999999994 110.601 179.928 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 69' ' ' MET . . . . . . . . . . . . . 49.9 ttp -71.82 -53.99 11.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.04 -0.527 . . . . 10.84 110.805 179.86 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.605 HG13 ' OH ' ' C' ' 78' ' ' TYR . 61.0 t -74.55 -20.65 17.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 10.42 111.253 -179.974 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.403 ' N ' ' O ' ' B' ' 67' ' ' LYS . 21.9 t80 -65.21 -49.38 69.93 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.44 -0.345 . . . . 17.699999999999999 110.623 179.777 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -65.05 -41.2 95.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 23.739999999999998 110.65 179.737 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 73' ' ' THR . . . . . 0.848 HG23 HD22 ' D' ' 58' ' ' LEU . 96.0 m -58.19 -58.45 8.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 23.920000000000002 110.847 179.883 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 74' ' ' LEU . . . . . 0.572 ' HA ' HD12 ' B' ' 77' ' ' LEU . 30.0 mt -51.63 -42.08 61.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 26.920000000000002 110.934 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -50.46 -48.48 56.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.983 0.42 . . . . 27.949999999999999 110.786 179.864 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.57 -32.11 67.71 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.927 -0.578 . . . . 28.210000000000001 110.616 179.695 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.572 HD12 ' HA ' ' B' ' 74' ' ' LEU . 20.3 mt -58.5 -39.67 80.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.015 -0.539 . . . . 28.370000000000001 110.734 179.916 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 78' ' ' TYR . . . . . 0.574 ' OH ' HD13 ' A' ' 58' ' ' LEU . 26.5 m-85 -85.01 -42.78 14.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 34.130000000000003 110.716 179.81 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 31.6 ttpt -57.25 -46.02 83.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.046 -0.525 . . . . 41.93 110.945 179.963 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -57.72 -21.32 40.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 42.219999999999999 111.239 -179.995 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 81' ' ' THR . . . . . 0.46 HG23 ' O ' ' B' ' 81' ' ' THR . 4.5 t -158.93 94.36 1.22 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.384 -0.371 . . . . 40.369999999999997 110.915 179.875 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.43 HG23 ' O ' ' B' ' 78' ' ' TYR . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.283 -0.865 . . . . 45.549999999999997 110.867 -179.956 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' C' C ' 52' ' ' ARG . . . . . . . . . . . . . 11.0 mmt180 . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.842 0.353 . . . . 47.780000000000001 111.154 . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' C' C ' 53' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -104.76 24.02 12.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 36.369999999999997 111.07 -179.912 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.44 -33.96 36.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.352 -0.385 . . . . 38.619999999999997 110.775 179.89 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.26 -49.07 70.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.257 -0.429 . . . . 30.23 110.572 179.702 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -63.36 -43.91 96.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.068 -0.514 . . . . 28.09 110.32 179.506 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 57' ' ' ARG . . . . . . . . . . . . . 42.6 ttm-85 -67.9 -42.73 80.7 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.852 -0.613 . . . . 26.82 110.326 179.472 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 58' ' ' LEU . . . . . 0.592 HD13 ' OH ' ' D' ' 78' ' ' TYR . 12.1 mt -57.82 -48.55 79.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.805 -0.634 . . . . 28.219999999999999 110.648 179.552 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.94 -41.38 61.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.026 -0.534 . . . . 24.18 110.874 179.887 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -72.82 -31.4 64.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.123 -0.489 . . . . 26.690000000000001 110.571 179.84 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.97 -51.82 29.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 27.039999999999999 110.686 179.778 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' C' C ' 62' ' ' GLN . . . . . 0.703 ' HA ' HD12 ' C' ' 65' ' ' LEU . 47.6 mm-40 -58.14 -44.48 87.84 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.95 -0.568 . . . . 19.210000000000001 110.748 179.795 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' C' C ' 63' ' ' SER . . . . . . . . . . . . . 3.3 p -63.02 -35.35 79.93 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.008 -0.542 . . . . 15.82 110.702 179.91 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -57.52 -41.95 81.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 18.43 110.81 179.857 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 65' ' ' LEU . . . . . 0.703 HD12 ' HA ' ' C' ' 62' ' ' GLN . 2.1 mt -64.47 -39.08 93.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 16.789999999999999 110.619 179.784 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' C' C ' 66' ' ' VAL . . . . . . . . . . . . . 50.9 t -69.5 -45.87 77.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 9.9600000000000009 110.967 179.842 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 67' ' ' LYS . . . . . . . . . . . . . 17.2 tttm -59.28 -57.93 10.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.213 -0.449 . . . . 18.309999999999999 110.416 179.626 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.54 -31.46 64.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 20.100000000000001 110.277 179.489 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' C' C ' 69' ' ' MET . . . . . . . . . . . . . 13.6 tmm? -69.37 -42.62 74.94 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.994 -0.548 . . . . 8.9700000000000006 110.528 179.52 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 70' ' ' VAL . . . . . 0.406 HG13 ' HG ' ' C' ' 74' ' ' LEU . 43.4 t -69.58 -33.03 54.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.918 -0.583 . . . . 5.8899999999999997 110.612 179.68 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' C' C ' 71' ' ' PHE . . . . . 0.423 ' O ' ' CB ' ' C' ' 75' ' ' LYS . 10.7 t80 -55.22 -58.36 8.0 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.198 -0.455 . . . . 16.960000000000001 110.321 179.701 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -52.5 -50.99 61.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 8.3900000000000006 110.664 179.82 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 73' ' ' THR . . . . . . . . . . . . . 18.9 m -57.03 -71.13 0.1 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.373 -0.376 . . . . 12.15 110.297 179.708 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 74' ' ' LEU . . . . . 0.718 HD12 ' HB2' ' D' ' 62' ' ' GLN . 12.5 mt -49.56 -37.78 28.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.121 -0.491 . . . . 18.670000000000002 111.083 179.964 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' C' C ' 75' ' ' LYS . . . . . 0.423 ' CB ' ' O ' ' C' ' 71' ' ' PHE . 2.9 ttpt -54.71 -68.87 0.15 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.126 0.489 . . . . 19.75 110.354 179.473 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' C' C ' 76' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.16 -25.11 67.57 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.581 -0.736 . . . . 15.5 111.041 179.798 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' C' C ' 77' ' ' LEU . . . . . 0.616 ' C ' HD12 ' C' ' 77' ' ' LEU . 0.7 OUTLIER -71.67 -65.55 0.74 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.262 -0.426 . . . . 19.109999999999999 110.782 -179.895 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' C' C ' 78' ' ' TYR . . . . . 0.605 ' OH ' HG13 ' B' ' 70' ' ' VAL . 19.0 m-85 -52.66 -32.36 41.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.428 -0.351 . . . . 25.829999999999998 110.586 179.777 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 14.8 ttmt -58.59 -35.24 72.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 27.440000000000001 110.61 179.635 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 7.9 ttpt -70.03 -28.93 65.88 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.21 -0.45 . . . . 30.359999999999999 110.894 179.79 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -71.41 -36.88 71.5 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.12 -0.491 . . . . 34.700000000000003 110.965 179.873 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' C' C ' 82' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.201 -0.904 . . . . 40.890000000000001 110.924 179.987 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' D' D ' 52' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.485 1.325 0 CA-C-O 120.821 0.343 . . . . 42.75 111.186 . . . . . . . . . 1 1 . 1 . 027 nuclear build full ' D' D ' 53' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -108.98 24.65 12.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.215 -0.448 . . . . 40.539999999999999 110.859 179.973 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.47 -31.56 72.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.25 -0.432 . . . . 33.920000000000002 110.866 -179.945 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' D' D ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.18 -44.45 95.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.23 -0.441 . . . . 33.039999999999999 110.883 179.959 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.25 -48.99 71.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 31.670000000000002 110.739 179.729 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' D' D ' 57' ' ' ARG . . . . . . . . . . . . . 78.9 mtt180 -57.4 -34.01 68.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.125 -0.489 . . . . 25.949999999999999 110.818 179.927 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' D' D ' 58' ' ' LEU . . . . . 0.848 HD22 HG23 ' B' ' 73' ' ' THR . 17.4 mt -67.79 -59.8 3.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.101 -0.5 . . . . 18.510000000000002 110.919 -179.923 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' D' D ' 59' ' ' ALA . . . . . . . . . . . . . . . -45.97 -34.79 4.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.994 -0.548 . . . . 18.16 111.068 179.901 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' D' D ' 60' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -62.44 -48.5 79.39 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.051 -0.522 . . . . 22.670000000000002 110.601 179.792 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' D' D ' 61' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -61.87 -33.35 74.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 16.960000000000001 110.604 179.647 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' D' D ' 62' ' ' GLN . . . . . 0.722 ' O ' HG23 ' D' ' 66' ' ' VAL . 5.4 mm-40 -72.23 -49.01 38.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.042 -0.526 . . . . 15.140000000000001 110.697 179.654 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' D' D ' 63' ' ' SER . . . . . . . . . . . . . 1.3 m -52.4 -60.04 3.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.187 -0.461 . . . . 13.109999999999999 110.689 179.979 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' D' D ' 64' ' ' GLU . . . . . . . . . . . . . 26.4 pt-20 -51.06 -35.46 34.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 8.5800000000000001 110.802 179.81 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' D' D ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.28 -41.36 81.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.055 -0.521 . . . . 5.2599999999999998 110.72 179.75 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' D' D ' 66' ' ' VAL . . . . . 0.722 HG23 ' O ' ' D' ' 62' ' ' GLN . 18.5 t -64.48 -35.33 74.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.256 -0.429 . . . . 6.7300000000000004 111.133 179.887 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' D' D ' 67' ' ' LYS . . . . . . . . . . . . . 11.9 tttt -63.33 -53.25 55.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 17.190000000000001 110.94 -179.939 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' D' D ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.15 -30.41 64.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.356 -0.384 . . . . 17.550000000000001 110.626 179.926 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' D' D ' 69' ' ' MET . . . . . . . . . . . . . 50.9 ttp -72.05 -53.95 11.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.059 -0.519 . . . . 12.85 110.835 179.865 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' D' D ' 70' ' ' VAL . . . . . 0.494 HG13 ' OH ' ' A' ' 78' ' ' TYR . 62.1 t -74.7 -20.36 16.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.283 -0.417 . . . . 15.34 111.235 179.965 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 21.7 t80 -65.29 -49.3 70.03 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.907 0.384 . . . . 25.039999999999999 110.621 179.667 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -65.14 -41.09 95.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.135 -0.484 . . . . 28.800000000000001 110.71 179.784 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' D' D ' 73' ' ' THR . . . . . 0.835 HG23 HD22 ' B' ' 58' ' ' LEU . 96.2 m -58.29 -58.57 7.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.042 -0.526 . . . . 21.530000000000001 110.813 179.801 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' D' D ' 74' ' ' LEU . . . . . 0.574 ' HA ' HD12 ' D' ' 77' ' ' LEU . 30.2 mt -51.51 -42.07 61.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.479 . . . . 21.129999999999999 110.932 -180.0 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' D' D ' 75' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -50.54 -48.4 57.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.264 -0.426 . . . . 27.390000000000001 110.706 179.915 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' D' D ' 76' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.7 -32.03 67.39 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.975 -0.557 . . . . 31.07 110.643 179.8 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' D' D ' 77' ' ' LEU . . . . . 0.574 HD12 ' HA ' ' D' ' 74' ' ' LEU . 20.6 mt -58.54 -39.68 80.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.044 -0.525 . . . . 30.600000000000001 110.719 179.873 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' D' D ' 78' ' ' TYR . . . . . 0.592 ' OH ' HD13 ' C' ' 58' ' ' LEU . 26.1 m-85 -84.91 -42.79 14.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.099 -0.5 . . . . 32.869999999999997 110.672 179.849 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' D' D ' 79' ' ' LYS . . . . . . . . . . . . . 31.8 ttpt -57.34 -45.87 83.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.022 -0.535 . . . . 39.32 110.947 179.995 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' D' D ' 80' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -57.79 -21.4 41.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 40.200000000000003 111.153 -179.951 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' D' D ' 81' ' ' THR . . . . . 0.475 HG23 ' O ' ' D' ' 81' ' ' THR . 4.5 t -158.96 94.39 1.22 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.878 0.37 . . . . 40.579999999999998 110.881 179.896 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' D' D ' 82' ' ' THR . . . . . 0.424 HG23 ' O ' ' D' ' 78' ' ' TYR . 0.2 OUTLIER . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.253 -0.879 . . . . 46.039999999999999 110.96 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.182 0 CA-C-O 120.841 0.353 . . . . 33.65 110.668 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -64.05 -55.25 23.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.042 -0.526 . . . . 29.16 110.598 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.58 -43.72 75.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.901 -0.591 . . . . 34.44 110.339 179.522 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.639 ' C ' HD13 ' A' ' 58' ' ' LEU . 2.1 tm? -60.09 -46.82 88.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.817 -0.629 . . . . 25.07 110.687 179.622 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.25 -39.0 74.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.102 -0.499 . . . . 20.4 111.021 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -57.51 -41.34 80.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.491 . . . . 20.28 110.811 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.3 -63.46 1.3 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.49 . . . . 22.08 110.945 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 9.4 mp0 -50.24 -45.52 54.14 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.984 -0.553 . . . . 25.08 110.876 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 55.5 p -60.03 -40.73 90.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 17.3 110.745 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.418 ' O ' ' HG2' ' A' ' 67' ' ' LYS . 0.6 OUTLIER -66.39 -27.47 67.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.305 -0.407 . . . . 25.63 110.735 179.811 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 83.8 mt -71.96 -36.56 69.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.276 -0.42 . . . . 17.29 110.424 179.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 60.4 t -74.66 -44.17 46.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.931 -0.577 . . . . 14.98 111.159 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.418 ' HG2' ' O ' ' A' ' 64' ' ' GLU . 14.3 ptmt -58.9 -41.54 87.45 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.87 0.367 . . . . 12.79 110.587 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.55 -40.59 93.02 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.138 -0.483 . . . . 12.07 110.213 179.488 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 12.1 tmm? -62.88 -47.03 85.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.874 -0.603 . . . . 8.14 110.414 179.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.4 HG13 ' HG ' ' A' ' 74' ' ' LEU . 56.1 t -59.47 -39.66 79.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.158 -0.474 . . . . 9.1 110.5 179.628 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.472 ' CE2' ' HE2' ' A' ' 75' ' ' LYS . 24.8 t80 -53.07 -57.37 10.62 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.19 -0.459 . . . . 12.11 110.187 179.529 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 38.8 m-20 -52.8 -50.86 62.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.145 -0.48 . . . . 11.41 110.739 179.719 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.6 m -59.85 -69.62 0.2 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.293 -0.412 . . . . 12.38 110.342 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.728 HD12 ' HB2' ' B' ' 62' ' ' GLN . 13.0 mt -49.67 -36.8 26.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 14.13 111.259 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.472 ' HE2' ' CE2' ' A' ' 71' ' ' PHE . 7.4 ttpt -53.62 -69.34 0.12 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.025 0.44 . . . . 13.41 110.284 179.657 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -61.26 -32.25 72.06 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.741 -0.663 . . . . 16.8 111.169 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.734 ' O ' HD12 ' A' ' 77' ' ' LEU . 2.2 tp -67.24 -41.32 85.85 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.475 -0.33 . . . . 21.2 110.766 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.735 ' CZ ' HG21 ' D' ' 73' ' ' THR . 16.6 m-30 -75.0 -18.61 60.34 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.275 -0.421 . . . . 24.45 110.804 179.494 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.44 -32.11 58.25 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.436 -0.347 . . . . 25.63 110.65 179.534 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 2.3 ttpp -58.4 -30.82 67.13 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.389 -0.369 . . . . 27.48 110.891 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.574 ' OG1' HD22 ' D' ' 77' ' ' LEU . 44.4 p . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.235 -0.439 . . . . 32.91 110.775 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.817 0.341 . . . . 34.64 111.156 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.4 -33.34 63.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.425 . . . . 30.87 111.109 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -76.74 -58.5 3.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 32.24 110.894 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 46.9 mtp85 -50.89 -29.16 11.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 27.54 110.657 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . 0.74 HD22 HG23 ' D' ' 73' ' ' THR . 20.1 mt -70.59 -62.72 1.28 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.116 -0.493 . . . . 22.39 110.438 179.536 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -45.78 -29.3 1.27 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.832 -0.622 . . . . 19.21 111.148 179.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -71.49 -43.58 66.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.035 -0.529 . . . . 16.87 110.572 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 61' ' ' GLU . . . . . 0.524 ' O ' HD12 ' B' ' 65' ' ' LEU . 17.6 mm-40 -65.51 -32.14 73.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.491 . . . . 11.16 110.685 179.785 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . 0.728 ' HB2' HD12 ' A' ' 74' ' ' LEU . 3.4 mm-40 -72.55 -47.15 50.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 11.18 110.599 179.818 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.81 -61.25 2.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.259 -0.428 . . . . 16.54 110.566 179.752 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -50.58 -39.23 49.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.992 0.425 . . . . 17.32 110.5 179.565 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . 0.524 HD12 ' O ' ' B' ' 61' ' ' GLU . 0.2 OUTLIER -65.01 -46.87 79.56 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.969 -0.56 . . . . 10.11 110.574 179.634 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . 0.655 HG23 ' O ' ' B' ' 62' ' ' GLN . 25.6 t -68.95 -33.56 59.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.217 -0.447 . . . . 8.35 110.831 179.643 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.58 -59.19 5.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.087 -0.506 . . . . 15.78 110.687 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 8.5 mttt -53.02 -32.88 49.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.268 -0.424 . . . . 8.78 110.734 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 69' ' ' MET . . . . . 0.433 ' CE ' ' HB3' ' D' ' 62' ' ' GLN . 29.0 ttp -70.56 -51.13 30.56 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.058 -0.519 . . . . 10.9 110.804 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.401 HG23 ' O ' ' B' ' 66' ' ' VAL . 61.8 t -72.39 -25.28 22.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.132 -0.486 . . . . 10.96 111.066 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 14.8 t80 -60.5 -48.05 83.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 18.08 110.777 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -66.01 -41.78 90.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.068 -0.514 . . . . 24.02 110.728 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 73' ' ' THR . . . . . 0.779 HG23 HD22 ' D' ' 58' ' ' LEU . 73.8 m -52.47 -58.3 7.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.105 -0.498 . . . . 22.47 110.772 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 74' ' ' LEU . . . . . 0.69 HD23 HD12 ' B' ' 77' ' ' LEU . 86.6 mt -50.68 -38.8 48.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 26.89 110.847 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 2.2 ttpt -53.65 -51.3 63.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.983 0.421 . . . . 29.75 110.49 179.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -68.58 -35.48 77.43 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.902 -0.59 . . . . 28.64 110.677 179.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.69 HD12 HD23 ' B' ' 74' ' ' LEU . 17.2 mt -55.64 -45.21 77.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.112 -0.495 . . . . 28.18 110.825 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 78' ' ' TYR . . . . . 0.578 ' CE1' HG22 ' C' ' 81' ' ' THR . 11.7 m-85 -78.78 -30.25 45.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.079 -0.51 . . . . 34.53 110.689 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.083 -0.508 . . . . 41.57 110.781 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.133 0 CA-C-O 120.814 0.34 . . . . 30.36 110.627 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -64.25 -55.23 22.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.106 -0.497 . . . . 28.24 110.549 179.679 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.5 -43.61 76.46 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.976 -0.556 . . . . 28.74 110.342 179.548 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 58' ' ' LEU . . . . . 0.636 HD13 ' C ' ' C' ' 58' ' ' LEU . 2.1 tm? -60.33 -46.66 89.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.802 -0.636 . . . . 29.59 110.669 179.661 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.18 -39.3 75.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 25.05 110.964 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -57.29 -41.37 79.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.128 -0.487 . . . . 25.47 110.787 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.36 -63.42 1.31 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 25.41 110.918 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 9.3 mp0 -50.07 -45.85 52.78 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.063 -0.517 . . . . 19.05 110.827 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 63' ' ' SER . . . . . . . . . . . . . 57.2 p -59.73 -40.66 88.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.105 -0.498 . . . . 16.32 110.814 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 64' ' ' GLU . . . . . 0.416 ' O ' ' HG2' ' C' ' 67' ' ' LYS . 0.6 OUTLIER -66.55 -27.26 67.61 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.198 -0.455 . . . . 18.22 110.77 179.86 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' C' C ' 65' ' ' LEU . . . . . . . . . . . . . 83.8 mt -72.18 -36.44 69.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 17.89 110.398 179.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 66' ' ' VAL . . . . . . . . . . . . . 60.4 t -74.75 -44.15 46.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.913 -0.585 . . . . 10.01 111.084 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 67' ' ' LYS . . . . . 0.416 ' HG2' ' O ' ' C' ' 64' ' ' GLU . 14.2 ptmt -58.92 -41.63 87.75 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.319 -0.401 . . . . 15.65 110.55 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.58 -40.49 92.79 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.175 -0.466 . . . . 20.86 110.254 179.511 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 69' ' ' MET . . . . . . . . . . . . . 12.1 tmm? -63.02 -46.64 86.67 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.871 -0.604 . . . . 9.37 110.49 179.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 70' ' ' VAL . . . . . 0.409 HG13 ' HG ' ' C' ' 74' ' ' LEU . 56.1 t -59.81 -39.78 80.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.214 -0.448 . . . . 6.76 110.445 179.678 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 71' ' ' PHE . . . . . 0.463 ' CE2' ' HE2' ' C' ' 75' ' ' LYS . 24.9 t80 -52.7 -57.6 9.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 18.23 110.255 179.455 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 38.4 m-20 -52.73 -50.92 62.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.1 -0.5 . . . . 11.95 110.679 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 73' ' ' THR . . . . . . . . . . . . . 18.4 m -59.82 -69.25 0.22 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.349 -0.387 . . . . 10.62 110.332 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 74' ' ' LEU . . . . . 0.718 HD12 ' HB2' ' D' ' 62' ' ' GLN . 12.8 mt -50.08 -36.49 29.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 17.82 111.134 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 75' ' ' LYS . . . . . 0.463 ' HE2' ' CE2' ' C' ' 71' ' ' PHE . 7.3 ttpt -53.94 -69.52 0.12 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.048 0.451 . . . . 19.47 110.335 179.629 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 76' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -60.92 -32.34 71.84 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.713 -0.676 . . . . 16.29 111.077 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 77' ' ' LEU . . . . . 0.733 ' O ' HD12 ' C' ' 77' ' ' LEU . 2.2 tp -67.23 -41.39 85.77 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.463 -0.335 . . . . 19.27 110.807 -179.798 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 78' ' ' TYR . . . . . 0.718 ' CZ ' HG21 ' B' ' 73' ' ' THR . 16.7 m-30 -75.02 -18.39 60.35 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.349 -0.387 . . . . 26.03 110.803 179.542 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.57 -32.18 58.0 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.418 -0.355 . . . . 27.07 110.593 179.593 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 2.3 ttpp -58.54 -30.64 67.27 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.344 -0.389 . . . . 30.87 110.834 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 81' ' ' THR . . . . . 0.578 HG22 ' CE1' ' B' ' 78' ' ' TYR . 44.6 p . . . . . 0 C--N 1.33 -0.267 0 CA-C-O 120.939 0.4 . . . . 34.53 110.785 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 . . . . . 0 C--O 1.23 0.047 0 CA-C-O 120.845 0.355 . . . . 33.61 111.152 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' D' D ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.67 -33.26 63.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 32.39 111.086 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -76.79 -58.31 3.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 31.6 110.861 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 57' ' ' ARG . . . . . . . . . . . . . 46.9 mtp85 -51.17 -29.06 12.7 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.272 -0.422 . . . . 23.34 110.621 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 58' ' ' LEU . . . . . 0.779 HD22 HG23 ' B' ' 73' ' ' THR . 20.2 mt -70.63 -62.75 1.27 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.104 -0.498 . . . . 18.91 110.488 179.537 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 59' ' ' ALA . . . . . . . . . . . . . . . -45.65 -29.41 1.23 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.791 -0.64 . . . . 19.15 111.168 179.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 60' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -71.48 -43.68 66.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.945 -0.571 . . . . 24.01 110.574 179.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 61' ' ' GLU . . . . . 0.515 ' O ' HD12 ' D' ' 65' ' ' LEU . 17.6 mm-40 -65.52 -31.96 73.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 17.4 110.68 179.818 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 62' ' ' GLN . . . . . 0.718 ' HB2' HD12 ' C' ' 74' ' ' LEU . 3.5 mm-40 -72.61 -47.18 49.9 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.234 -0.439 . . . . 14.76 110.619 179.796 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 63' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.72 -61.11 2.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.294 -0.412 . . . . 13.02 110.587 179.713 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 64' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -50.7 -39.45 51.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.446 . . . . 8.27 110.497 179.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 65' ' ' LEU . . . . . 0.515 HD12 ' O ' ' D' ' 61' ' ' GLU . 0.2 OUTLIER -64.78 -46.98 79.79 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.837 -0.62 . . . . 5.59 110.538 179.629 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' D' D ' 66' ' ' VAL . . . . . 0.665 HG23 ' O ' ' D' ' 62' ' ' GLN . 25.4 t -69.0 -33.11 57.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.239 -0.437 . . . . 5.84 110.917 179.673 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 67' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.05 -58.51 7.56 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.127 -0.488 . . . . 11.96 110.784 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 68' ' ' LYS . . . . . . . . . . . . . 8.5 mttt -53.61 -32.98 53.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 19.72 110.674 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 69' ' ' MET . . . . . 0.431 ' CE ' ' HB3' ' B' ' 62' ' ' GLN . 29.1 ttp -70.14 -51.54 30.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.992 -0.549 . . . . 12.99 110.827 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 70' ' ' VAL . . . . . . . . . . . . . 62.3 t -72.2 -25.13 23.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.031 -0.532 . . . . 15.14 111.073 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 14.5 t80 -60.64 -48.03 83.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 24.61 110.717 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -65.9 -41.77 91.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 28.78 110.78 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 73' ' ' THR . . . . . 0.74 HG23 HD22 ' B' ' 58' ' ' LEU . 76.4 m -52.5 -58.29 7.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 22.34 110.767 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 74' ' ' LEU . . . . . 0.7 HD23 HD12 ' D' ' 77' ' ' LEU . 85.6 mt -50.6 -39.03 48.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.489 . . . . 20.76 110.845 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 75' ' ' LYS . . . . . . . . . . . . . 2.1 ttpt -53.57 -51.02 64.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 25.87 110.519 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 76' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -68.83 -35.51 77.05 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.904 -0.589 . . . . 30.83 110.655 179.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 77' ' ' LEU . . . . . 0.7 HD12 HD23 ' D' ' 74' ' ' LEU . 17.3 mt -55.64 -45.28 77.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.043 -0.526 . . . . 30.15 110.826 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 78' ' ' TYR . . . . . 0.507 ' CE1' HG22 ' A' ' 81' ' ' THR . 11.8 m-85 -78.82 -30.04 45.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.024 -0.535 . . . . 31.7 110.664 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.068 -0.515 . . . . 40.82 110.705 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.103 0 CA-C-O 120.812 0.339 . . . . 35.74 110.792 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -65.96 -52.9 45.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 30.9 110.529 179.653 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 24.8 mtm180 -62.07 -44.7 96.1 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.941 -0.572 . . . . 38.79 110.341 179.39 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.431 HD23 ' HA ' ' A' ' 58' ' ' LEU . 14.9 mt -55.7 -53.32 58.08 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.883 -0.599 . . . . 29.34 110.663 179.652 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -50.18 -32.34 16.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 21.27 110.908 179.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -81.19 -29.45 34.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.478 . . . . 18.7 110.617 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -77.46 -49.09 15.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.086 -0.506 . . . . 20.51 110.629 179.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.485 ' HA ' HD12 ' A' ' 65' ' ' LEU . 54.8 mm-40 -63.16 -39.49 94.82 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.847 -0.615 . . . . 23.55 110.462 179.655 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 55.6 p -66.6 -36.37 82.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.031 -0.532 . . . . 18.92 110.39 179.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -57.27 -43.97 83.56 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.08 -0.509 . . . . 26.54 110.446 179.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.485 HD12 ' HA ' ' A' ' 62' ' ' GLN . 1.5 mt -59.5 -41.13 89.17 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.076 -0.511 . . . . 19.32 110.31 179.558 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 61.7 t -69.49 -49.57 58.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.974 -0.557 . . . . 14.81 110.733 179.507 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.9 tttt -61.32 -41.39 96.94 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.236 -0.438 . . . . 8.19 110.35 179.533 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 32.7 ttpt -64.8 -36.66 85.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.033 -0.53 . . . . 14.61 110.364 179.606 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 24.0 ttp -65.53 -39.58 91.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.992 -0.549 . . . . 8.36 110.502 179.663 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 70.3 t -68.1 -45.28 83.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.084 -0.507 . . . . 9.51 110.826 179.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.427 ' O ' ' CB ' ' A' ' 75' ' ' LYS . 73.3 t80 -51.15 -62.79 1.4 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.493 -0.321 . . . . 16.74 110.429 179.808 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -50.55 -39.09 48.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.281 -0.418 . . . . 12.9 110.537 179.558 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.6 m -68.39 -73.81 0.14 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.065 -0.516 . . . . 9.95 110.358 179.601 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.746 HD12 ' HB2' ' B' ' 62' ' ' GLN . 19.0 mt -49.04 -34.54 13.67 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.061 -0.518 . . . . 13.11 111.045 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.427 ' CB ' ' O ' ' A' ' 71' ' ' PHE . 6.9 tttt -54.58 -68.9 0.15 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.031 -0.532 . . . . 15.65 110.071 179.369 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -63.49 -29.56 70.82 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.592 -0.731 . . . . 18.54 110.883 179.674 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.602 ' C ' HD12 ' A' ' 77' ' ' LEU . 0.6 OUTLIER -65.96 -65.65 0.65 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.273 -0.421 . . . . 21.54 110.586 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.463 ' OH ' HG13 ' D' ' 70' ' ' VAL . 22.6 m-30 -53.92 -27.06 28.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.419 -0.355 . . . . 27.07 110.855 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 12.7 mttt -67.69 -31.18 70.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 24.49 110.957 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -75.03 -27.81 60.22 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.148 -0.478 . . . . 29.52 110.957 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.031 -0.532 . . . . 33.93 111.092 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.629 0.252 . . . . 33.18 111.068 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.55 -46.98 77.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.83 0.348 . . . . 29.41 110.936 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -62.1 -53.13 59.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 33.04 110.61 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.25 -36.53 61.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 25.67 110.762 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . 0.8 HD22 HG23 ' D' ' 73' ' ' THR . 4.5 mt -63.99 -58.72 5.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.974 -0.557 . . . . 22.47 110.883 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 59' ' ' ALA . . . . . 0.43 ' HB1' ' HB2' ' A' ' 74' ' ' LEU . . . -46.5 -37.14 7.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.908 -0.587 . . . . 20.31 110.875 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -58.96 -48.33 81.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.939 -0.573 . . . . 21.15 110.683 179.64 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 61' ' ' GLU . . . . . 0.407 ' O ' ' HG2' ' B' ' 64' ' ' GLU . 27.5 mt-10 -60.59 -36.51 78.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 14.55 110.273 179.649 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . 0.746 ' HB2' HD12 ' A' ' 74' ' ' LEU . 7.9 mm-40 -68.39 -51.75 40.61 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.892 -0.594 . . . . 10.36 110.432 179.486 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -50.2 -65.3 0.58 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.022 -0.535 . . . . 16.14 110.953 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . 0.407 ' HG2' ' O ' ' B' ' 61' ' ' GLU . 13.2 pt-20 -46.91 -32.61 3.93 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.867 0.365 . . . . 15.81 111.004 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.32 -41.29 81.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.049 -0.523 . . . . 10.23 110.674 179.525 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . 0.484 HG23 ' O ' ' B' ' 62' ' ' GLN . 36.4 t -66.61 -38.28 81.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.102 -0.499 . . . . 7.75 111.261 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 67' ' ' LYS . . . . . 0.4 ' O ' ' N ' ' B' ' 71' ' ' PHE . 2.3 tttt -58.09 -51.86 67.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 10.47 111.139 -179.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 77.3 tttt -58.78 -32.15 69.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.409 -0.36 . . . . 11.06 110.911 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 69' ' ' MET . . . . . 0.435 ' CE ' ' HB3' ' D' ' 62' ' ' GLN . 23.1 ttp -71.37 -49.61 40.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 11.17 110.85 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.584 HG13 ' OH ' ' C' ' 78' ' ' TYR . 53.1 t -76.94 -24.36 15.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.121 -0.491 . . . . 10.93 111.105 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.4 ' N ' ' O ' ' B' ' 67' ' ' LYS . 32.2 t80 -60.68 -52.08 66.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.255 -0.429 . . . . 17.48 110.647 179.771 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.27 -40.28 93.72 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.153 -0.476 . . . . 24.81 110.587 179.661 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 73' ' ' THR . . . . . 0.792 HG23 HD22 ' D' ' 58' ' ' LEU . 60.3 m -55.82 -55.23 34.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 24.47 110.684 179.683 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 74' ' ' LEU . . . . . 0.405 ' HA ' ' HB2' ' B' ' 77' ' ' LEU . 13.6 mt -58.1 -42.01 84.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.164 -0.471 . . . . 26.4 110.882 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 3.4 ttpt -49.61 -41.41 42.14 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.255 -0.43 . . . . 26.86 110.628 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -77.71 -31.46 52.32 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.937 -0.574 . . . . 27.56 110.481 179.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.405 ' HB2' ' HA ' ' B' ' 74' ' ' LEU . 18.4 mt -63.87 -41.6 97.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.981 -0.554 . . . . 28.12 110.843 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 78' ' ' TYR . . . . . 0.417 ' CE1' HG22 ' C' ' 81' ' ' THR . 15.0 m-85 -84.16 -39.33 19.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 32.86 110.87 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 11.2 tttm . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.022 -0.535 . . . . 42.83 110.891 179.909 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.096 0 CA-C-O 120.825 0.345 . . . . 30.09 110.722 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -65.58 -52.86 48.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 28.21 110.492 179.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 57' ' ' ARG . . . . . . . . . . . . . 24.6 mtm180 -62.27 -44.64 96.07 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.939 -0.573 . . . . 25.87 110.315 179.539 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 58' ' ' LEU . . . . . 0.451 HD23 ' HA ' ' C' ' 58' ' ' LEU . 15.1 mt -55.67 -53.48 56.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.843 -0.617 . . . . 26.51 110.598 179.536 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -50.0 -32.42 15.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 23.7 110.878 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -81.18 -29.29 34.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 25.75 110.673 179.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -77.71 -48.98 15.4 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.06 -0.518 . . . . 27.57 110.641 179.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 62' ' ' GLN . . . . . 0.506 ' HA ' HD12 ' C' ' 65' ' ' LEU . 54.6 mm-40 -63.21 -39.55 94.95 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.83 -0.623 . . . . 20.07 110.491 179.609 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 63' ' ' SER . . . . . . . . . . . . . 55.6 p -66.38 -36.72 83.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.036 -0.529 . . . . 15.95 110.347 179.54 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -56.98 -44.28 82.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.077 -0.51 . . . . 18.46 110.474 179.68 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 65' ' ' LEU . . . . . 0.506 HD12 ' HA ' ' C' ' 62' ' ' GLN . 1.5 mt -59.19 -41.07 87.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.079 -0.51 . . . . 15.77 110.305 179.534 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 66' ' ' VAL . . . . . . . . . . . . . 61.9 t -69.72 -49.45 57.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.02 -0.537 . . . . 10.05 110.735 179.617 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 67' ' ' LYS . . . . . 0.439 ' CG ' ' HB2' ' D' ' 63' ' ' SER . 13.9 tttt -61.37 -41.34 96.93 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.193 -0.458 . . . . 18.97 110.291 179.556 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 68' ' ' LYS . . . . . . . . . . . . . 32.7 ttpt -64.77 -36.87 85.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.048 -0.524 . . . . 20.72 110.375 179.542 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 69' ' ' MET . . . . . . . . . . . . . 23.7 ttp -65.37 -39.42 92.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.038 -0.528 . . . . 7.84 110.477 179.649 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 63.2 t -68.32 -45.07 83.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.082 -0.508 . . . . 4.41 110.784 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 71' ' ' PHE . . . . . 0.433 ' O ' ' CB ' ' C' ' 75' ' ' LYS . 73.7 t80 -51.45 -62.65 1.49 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.444 -0.344 . . . . 13.6 110.538 179.707 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -50.74 -39.03 50.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 7.03 110.566 179.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 73' ' ' THR . . . . . . . . . . . . . 18.9 m -68.47 -73.94 0.13 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.957 -0.565 . . . . 13.18 110.32 179.574 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 74' ' ' LEU . . . . . 0.666 HD12 ' HB2' ' D' ' 62' ' ' GLN . 19.1 mt -48.72 -34.83 12.77 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.188 -0.46 . . . . 18.75 111.023 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 75' ' ' LYS . . . . . 0.433 ' CB ' ' O ' ' C' ' 71' ' ' PHE . 6.9 tttt -54.4 -68.91 0.15 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.029 -0.532 . . . . 21.25 110.169 179.341 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 76' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -63.62 -29.44 70.68 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.681 -0.69 . . . . 14.52 110.826 179.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 77' ' ' LEU . . . . . 0.614 HD12 ' C ' ' C' ' 77' ' ' LEU . 0.6 OUTLIER -66.04 -65.65 0.65 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.295 -0.411 . . . . 19.16 110.586 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' C' C ' 78' ' ' TYR . . . . . 0.584 ' OH ' HG13 ' B' ' 70' ' ' VAL . 22.7 m-30 -53.93 -27.26 29.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.38 -0.373 . . . . 25.07 110.767 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 12.7 mttt -67.41 -31.43 71.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 26.41 110.936 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -74.87 -27.77 60.39 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.201 -0.454 . . . . 28.82 110.975 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 81' ' ' THR . . . . . 0.417 HG22 ' CE1' ' B' ' 78' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.231 0 CA-C-N 116.148 -0.478 . . . . 33.46 111.172 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.646 0.26 . . . . 35.25 111.04 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' D' D ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.45 -47.07 76.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.828 0.346 . . . . 33.91 110.977 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -62.09 -53.01 61.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 30.35 110.707 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 57' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.18 -36.62 61.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.49 . . . . 24.49 110.74 179.651 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 58' ' ' LEU . . . . . 0.792 HD22 HG23 ' B' ' 73' ' ' THR . 4.7 mt -63.99 -58.41 6.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.043 -0.526 . . . . 19.35 110.884 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 59' ' ' ALA . . . . . . . . . . . . . . . -47.45 -35.25 8.31 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.974 -0.557 . . . . 17.77 110.939 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 60' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -60.6 -47.45 86.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.007 -0.542 . . . . 23.18 110.462 179.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 61' ' ' GLU . . . . . 0.401 ' O ' ' HG2' ' D' ' 64' ' ' GLU . 27.7 mt-10 -61.48 -36.93 81.83 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.155 -0.475 . . . . 16.09 110.353 179.523 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 62' ' ' GLN . . . . . 0.666 ' HB2' HD12 ' C' ' 74' ' ' LEU . 7.7 mm-40 -67.88 -49.72 60.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.007 -0.542 . . . . 15.34 110.347 179.415 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 63' ' ' SER . . . . . 0.439 ' HB2' ' CG ' ' C' ' 67' ' ' LYS . 0.2 OUTLIER -50.96 -67.43 0.25 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.885 -0.598 . . . . 13.09 110.959 179.874 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' D' D ' 64' ' ' GLU . . . . . 0.401 ' HG2' ' O ' ' D' ' 61' ' ' GLU . 13.2 pt-20 -45.77 -32.26 2.43 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.148 -0.478 . . . . 12.17 111.002 -179.817 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.77 -41.69 78.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 5.79 110.547 179.579 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 66' ' ' VAL . . . . . 0.53 HG23 ' O ' ' D' ' 62' ' ' GLN . 35.0 t -66.44 -38.2 81.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.127 -0.488 . . . . 7.2 111.303 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 67' ' ' LYS . . . . . . . . . . . . . 2.4 tttt -58.14 -51.88 67.88 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.235 -0.439 . . . . 18.94 111.051 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 68' ' ' LYS . . . . . . . . . . . . . 77.2 tttt -58.71 -32.12 68.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.37 -0.377 . . . . 17.55 110.84 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 69' ' ' MET . . . . . 0.413 ' CE ' ' HB3' ' B' ' 62' ' ' GLN . 21.8 ttp -71.37 -49.61 40.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 12.89 110.949 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 70' ' ' VAL . . . . . 0.463 HG13 ' OH ' ' A' ' 78' ' ' TYR . 51.8 t -76.92 -24.46 15.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 15.52 111.032 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -60.6 -52.17 66.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.268 -0.424 . . . . 24.73 110.652 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.17 -40.33 94.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 28.78 110.586 179.677 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 73' ' ' THR . . . . . 0.8 HG23 HD22 ' B' ' 58' ' ' LEU . 62.4 m -55.95 -55.21 35.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 20.83 110.701 179.684 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 74' ' ' LEU . . . . . . . . . . . . . 13.5 mt -58.1 -42.0 84.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.489 . . . . 22.02 110.899 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 75' ' ' LYS . . . . . . . . . . . . . 3.4 ttpt -49.57 -41.29 41.24 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.96 0.41 . . . . 28.86 110.658 179.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 76' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -77.92 -31.43 51.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.999 -0.546 . . . . 31.34 110.549 179.627 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 77' ' ' LEU . . . . . . . . . . . . . 18.6 mt -63.75 -41.43 98.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.921 -0.581 . . . . 30.79 110.832 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 78' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -84.46 -39.41 18.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.112 -0.494 . . . . 33.61 110.778 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 79' ' ' LYS . . . . . . . . . . . . . 11.3 tttm . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 39.29 110.907 179.932 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.462 ' HB1' ' HB3' ' B' ' 78' ' ' TYR . . . . . . . . 0 N--CA 1.456 -0.131 0 CA-C-O 120.785 0.326 . . . . 35.57 110.794 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -68.04 -54.08 21.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.484 . . . . 30.59 110.578 179.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 46.2 ttp180 -60.94 -41.37 96.1 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.995 -0.548 . . . . 36.85 110.415 179.591 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.429 ' HA ' HD23 ' A' ' 58' ' ' LEU . 15.0 mt -58.95 -50.78 72.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.846 -0.615 . . . . 31.86 110.601 179.667 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.59 -32.87 30.34 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.109 -0.496 . . . . 22.88 110.875 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 30.3 t0 -76.36 -29.74 57.32 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.029 -0.532 . . . . 21.34 110.596 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -73.54 -51.79 15.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.067 -0.515 . . . . 21.35 110.612 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.882 ' HA ' HD12 ' A' ' 65' ' ' LEU . 30.8 mm-40 -54.85 -50.17 69.29 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.937 -0.574 . . . . 20.71 110.579 179.773 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 48.1 p -56.59 -41.59 77.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 18.65 110.525 179.661 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.415 ' O ' ' HG2' ' A' ' 67' ' ' LYS . 4.1 tt0 -60.02 -33.93 72.67 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.063 -0.517 . . . . 24.29 110.546 179.666 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.882 HD12 ' HA ' ' A' ' 62' ' ' GLN . 8.6 mt -68.96 -29.13 67.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.098 -0.501 . . . . 20.4 110.028 179.42 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 58.6 t -80.67 -46.45 21.22 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.283 0 CA-C-N 115.768 -0.651 . . . . 13.39 110.86 179.613 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.432 ' HD2' ' HD2' ' B' ' 67' ' ' LYS . 7.4 ptmt -59.86 -46.05 90.52 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.267 -0.424 . . . . 7.85 110.38 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 16.4 ttpp -61.26 -38.39 86.52 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.061 -0.518 . . . . 16.8 110.317 179.504 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.41 ' CE ' HG21 ' C' ' 73' ' ' THR . 24.7 ttp -64.82 -42.29 95.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.958 -0.565 . . . . 9.21 110.388 179.48 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 70.0 t -70.04 -42.17 79.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.094 -0.503 . . . . 9.15 110.679 179.65 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.418 ' O ' ' CB ' ' A' ' 75' ' ' LYS . 48.5 t80 -52.25 -60.6 3.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 19.77 110.426 179.753 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.17 -45.71 68.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.224 -0.443 . . . . 14.88 110.609 179.719 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 17.6 m -61.75 -71.64 0.14 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.187 -0.461 . . . . 8.6 110.277 179.545 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.641 HD12 ' HB2' ' B' ' 62' ' ' GLN . 19.8 mt -49.68 -36.84 26.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.979 -0.555 . . . . 14.02 111.105 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.418 ' CB ' ' O ' ' A' ' 71' ' ' PHE . 9.2 ttpp -56.25 -68.04 0.25 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.192 0.52 . . . . 18.03 110.029 179.187 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -61.98 -29.27 70.14 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.467 -0.788 . . . . 18.98 111.005 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.703 ' O ' HD12 ' A' ' 77' ' ' LEU . 0.7 OUTLIER -66.36 -54.97 18.3 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.43 -0.35 . . . . 21.11 110.576 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.479 ' CD1' ' CD1' ' D' ' 77' ' ' LEU . 20.9 m-85 -62.68 -21.56 65.82 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.371 -0.377 . . . . 28.42 110.809 179.562 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.61 -31.33 68.26 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.279 -0.419 . . . . 25.49 110.523 179.712 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 4.2 ttmt -66.79 -26.89 67.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.115 -0.493 . . . . 30.85 110.968 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.5 p . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.322 -0.399 . . . . 34.07 111.063 -179.857 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.756 0.312 . . . . 31.78 110.716 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 55' ' ' ALA . . . . . 0.476 ' HA ' HD12 ' B' ' 58' ' ' LEU . . . -56.78 -40.79 76.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 28.16 111.181 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -65.66 -49.37 68.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 33.28 110.886 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 6.5 mpt_? -51.16 -30.18 15.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 23.34 110.895 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . 0.829 HD22 HG23 ' D' ' 73' ' ' THR . 13.0 mt -77.37 -65.09 1.0 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 20.42 111.178 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -45.44 -27.67 0.75 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.997 -0.547 . . . . 19.79 111.349 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -71.9 -57.58 4.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 22.71 110.796 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 61' ' ' GLU . . . . . 0.411 ' HA ' ' HG2' ' B' ' 64' ' ' GLU . 2.3 mm-40 -63.55 -25.54 68.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.316 -0.402 . . . . 14.61 110.795 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . 0.641 ' HB2' HD12 ' A' ' 74' ' ' LEU . 2.5 mm-40 -75.24 -39.0 60.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 9.97 110.904 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 2.8 p -69.04 -53.57 19.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.343 -0.389 . . . . 14.62 110.734 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . 0.411 ' HG2' ' HA ' ' B' ' 61' ' ' GLU . 0.0 OUTLIER -52.33 -35.69 51.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.105 -0.498 . . . . 11.76 110.669 179.688 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.13 -42.91 96.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 8.77 110.799 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . 0.52 HG23 ' O ' ' B' ' 62' ' ' GLN . 60.5 t -63.78 -42.19 95.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.242 -0.435 . . . . 6.69 111.122 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 67' ' ' LYS . . . . . 0.432 ' HD2' ' HD2' ' A' ' 67' ' ' LYS . 13.0 tttt -54.15 -59.91 4.03 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.985 -0.552 . . . . 5.77 110.902 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 5.9 mttp -52.38 -32.87 40.69 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.206 -0.452 . . . . 13.65 111.074 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 69' ' ' MET . . . . . . . . . . . . . 44.0 ttp -72.76 -51.11 20.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.838 0.351 . . . . 12.22 110.982 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.62 HG13 ' OH ' ' C' ' 78' ' ' TYR . 64.6 t -75.9 -16.95 15.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 12.79 111.518 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.424 ' N ' ' O ' ' B' ' 67' ' ' LYS . 40.6 t80 -68.3 -54.07 20.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.888 0.375 . . . . 17.89 110.732 179.751 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -61.85 -43.37 98.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.082 -0.508 . . . . 26.55 110.809 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 73' ' ' THR . . . . . 0.762 HG23 HD22 ' D' ' 58' ' ' LEU . 52.5 m -53.96 -48.0 70.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 25.34 111.096 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 74' ' ' LEU . . . . . 0.525 ' HA ' HD12 ' B' ' 77' ' ' LEU . 24.6 mt -59.69 -39.6 85.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.467 . . . . 25.16 110.845 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 2.0 tptp -50.87 -46.27 60.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.356 -0.384 . . . . 25.64 110.537 179.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.0 -25.32 60.94 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.904 -0.589 . . . . 27.76 110.675 179.526 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.525 HD12 ' HA ' ' B' ' 74' ' ' LEU . 26.3 mt -72.46 -50.5 25.69 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.029 -0.532 . . . . 28.85 111.143 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 78' ' ' TYR . . . . . 0.462 ' HB3' ' HB1' ' A' ' 55' ' ' ALA . 8.4 m-85 -69.18 -57.53 5.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 31.44 111.497 -179.536 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.367 -0.379 . . . . 42.43 111.22 -179.748 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 55' ' ' ALA . . . . . 0.575 ' HB1' ' HB3' ' D' ' 78' ' ' TYR . . . . . . . . 0 N--CA 1.457 -0.118 0 CA-C-O 120.825 0.345 . . . . 32.48 110.802 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -67.92 -54.15 20.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 28.42 110.606 179.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 57' ' ' ARG . . . . . . . . . . . . . 46.1 ttp180 -61.0 -41.33 96.31 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.98 -0.555 . . . . 30.29 110.416 179.615 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 58' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' C' ' 58' ' ' LEU . 15.0 mt -59.02 -50.75 72.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.892 -0.594 . . . . 25.35 110.58 179.69 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.59 -32.85 30.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.092 -0.504 . . . . 23.44 110.832 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -76.37 -30.02 57.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 26.61 110.502 179.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -73.29 -51.72 16.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.499 . . . . 27.76 110.622 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 62' ' ' GLN . . . . . 0.85 ' HA ' HD12 ' C' ' 65' ' ' LEU . 31.2 mm-40 -54.82 -50.42 68.61 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.989 -0.551 . . . . 22.66 110.552 179.723 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 63' ' ' SER . . . . . . . . . . . . . 44.6 p -56.35 -41.39 76.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.482 . . . . 16.24 110.555 179.683 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 64' ' ' GLU . . . . . 0.415 ' O ' ' HG2' ' C' ' 67' ' ' LYS . 4.1 tt0 -60.31 -33.78 72.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.087 -0.506 . . . . 21.08 110.485 179.654 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 65' ' ' LEU . . . . . 0.85 HD12 ' HA ' ' C' ' 62' ' ' GLN . 8.5 mt -69.19 -29.03 66.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.078 0.466 . . . . 14.5 110.029 179.423 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 66' ' ' VAL . . . . . . . . . . . . . 58.9 t -80.68 -46.35 21.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.775 -0.648 . . . . 11.01 110.927 179.562 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 67' ' ' LYS . . . . . 0.452 ' HD2' ' CD ' ' D' ' 67' ' ' LYS . 7.6 ptmt -60.0 -45.94 91.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.224 -0.444 . . . . 19.98 110.491 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 68' ' ' LYS . . . . . . . . . . . . . 16.5 ttpp -61.19 -38.37 86.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.03 -0.532 . . . . 16.43 110.239 179.379 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 69' ' ' MET . . . . . . . . . . . . . 24.2 ttp -65.14 -42.07 94.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.994 -0.548 . . . . 6.99 110.414 179.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 61.5 t -70.16 -41.93 79.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.01 -0.541 . . . . 5.55 110.665 179.687 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 71' ' ' PHE . . . . . 0.42 ' O ' ' CB ' ' C' ' 75' ' ' LYS . 48.6 t80 -52.55 -60.8 2.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.246 -0.434 . . . . 8.63 110.387 179.625 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.98 -45.73 67.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 9.08 110.574 179.697 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 73' ' ' THR . . . . . 0.41 HG21 ' CE ' ' A' ' 69' ' ' MET . 17.8 m -61.9 -71.25 0.16 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.21 -0.45 . . . . 14.54 110.323 179.617 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 74' ' ' LEU . . . . . 0.539 HD12 ' HB2' ' D' ' 62' ' ' GLN . 20.9 mt -49.88 -37.13 29.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.094 -0.503 . . . . 18.04 111.086 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 75' ' ' LYS . . . . . 0.42 ' CB ' ' O ' ' C' ' 71' ' ' PHE . 9.2 ttpp -56.07 -68.02 0.24 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.158 0.504 . . . . 18.9 109.975 179.303 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 76' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -61.99 -29.48 70.28 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.493 -0.776 . . . . 14.3 110.994 179.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 77' ' ' LEU . . . . . 0.7 ' O ' HD12 ' C' ' 77' ' ' LEU . 0.7 OUTLIER -66.1 -55.08 18.26 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.48 -0.327 . . . . 19.85 110.541 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' C' C ' 78' ' ' TYR . . . . . 0.62 ' OH ' HG13 ' B' ' 70' ' ' VAL . 20.9 m-85 -62.43 -21.92 65.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.393 -0.367 . . . . 24.24 110.762 179.613 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.37 -31.13 68.25 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.296 -0.411 . . . . 27.62 110.615 179.66 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 4.2 ttmt -67.12 -26.7 66.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 27.78 111.014 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 81' ' ' THR . . . . . . . . . . . . . 2.6 p . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.306 -0.407 . . . . 33.31 110.999 -179.888 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.815 0.34 . . . . 35.37 110.771 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' D' D ' 55' ' ' ALA . . . . . 0.475 ' HA ' HD12 ' D' ' 58' ' ' LEU . . . -56.72 -40.61 75.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 33.7 111.229 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -65.77 -49.26 68.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 31.6 110.929 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 57' ' ' ARG . . . . . . . . . . . . . 6.5 mpt_? -50.98 -30.29 14.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.144 -0.48 . . . . 32.8 110.965 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 58' ' ' LEU . . . . . 0.762 HD22 HG23 ' B' ' 73' ' ' THR . 12.8 mt -77.53 -65.13 1.0 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 19.85 111.076 -179.769 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 59' ' ' ALA . . . . . . . . . . . . . . . -45.29 -27.92 0.73 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.063 -0.517 . . . . 17.68 111.312 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 60' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -71.61 -57.3 4.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.132 -0.486 . . . . 20.86 110.852 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 61' ' ' GLU . . . . . 0.409 ' HA ' ' CG ' ' D' ' 64' ' ' GLU . 2.3 mm-40 -63.94 -25.46 68.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 14.61 110.819 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 62' ' ' GLN . . . . . 0.539 ' HB2' HD12 ' C' ' 74' ' ' LEU . 2.5 mm-40 -75.24 -39.08 60.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.491 . . . . 14.19 110.833 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 63' ' ' SER . . . . . . . . . . . . . 2.6 p -69.07 -53.59 19.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.318 -0.401 . . . . 14.66 110.727 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 64' ' ' GLU . . . . . 0.409 ' CG ' ' HA ' ' D' ' 61' ' ' GLU . 0.0 OUTLIER -52.24 -35.78 50.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 14.05 110.613 179.736 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' D' D ' 65' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.95 -43.46 95.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.058 -0.519 . . . . 6.76 110.802 179.749 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 66' ' ' VAL . . . . . 0.536 HG23 ' O ' ' D' ' 62' ' ' GLN . 60.1 t -63.26 -42.14 95.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.951 0.405 . . . . 7.77 111.179 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 67' ' ' LYS . . . . . 0.452 ' CD ' ' HD2' ' C' ' 67' ' ' LYS . 13.4 tttt -54.12 -60.11 3.76 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.97 -0.559 . . . . 21.04 110.964 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 68' ' ' LYS . . . . . . . . . . . . . 5.9 mttp -52.1 -32.87 37.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.284 -0.416 . . . . 16.51 111.12 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 69' ' ' MET . . . . . . . . . . . . . 43.9 ttp -72.79 -51.26 19.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.372 -0.376 . . . . 12.54 110.97 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 70' ' ' VAL . . . . . 0.46 HG13 ' OH ' ' A' ' 78' ' ' TYR . 61.4 t -75.69 -17.01 15.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 14.65 111.491 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 71' ' ' PHE . . . . . 0.404 ' N ' ' O ' ' D' ' 67' ' ' LYS . 41.3 t80 -68.29 -54.39 17.84 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.896 0.379 . . . . 23.28 110.691 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -61.75 -43.04 99.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 27.49 110.8 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 73' ' ' THR . . . . . 0.829 HG23 HD22 ' B' ' 58' ' ' LEU . 51.9 m -54.25 -47.84 71.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.202 -0.453 . . . . 20.13 110.975 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 74' ' ' LEU . . . . . 0.525 ' HA ' HD12 ' D' ' 77' ' ' LEU . 25.0 mt -59.78 -39.42 84.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 23.61 110.844 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 75' ' ' LYS . . . . . . . . . . . . . 2.0 tptp -51.09 -46.14 61.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.964 0.411 . . . . 30.33 110.586 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 76' ' ' ASP . . . . . 0.4 ' HA ' ' HG2' ' D' ' 79' ' ' LYS . 0.7 OUTLIER -73.11 -25.19 60.77 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.835 -0.62 . . . . 31.34 110.702 179.587 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' D' D ' 77' ' ' LEU . . . . . 0.525 HD12 ' HA ' ' D' ' 74' ' ' LEU . 26.8 mt -72.62 -50.64 23.88 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.06 -0.518 . . . . 30.04 111.169 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 78' ' ' TYR . . . . . 0.575 ' HB3' ' HB1' ' C' ' 55' ' ' ALA . 8.3 m-85 -68.94 -57.55 5.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.104 -0.498 . . . . 33.68 111.37 -179.58 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 79' ' ' LYS . . . . . 0.4 ' HG2' ' HA ' ' D' ' 76' ' ' ASP . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.404 -0.362 . . . . 37.95 111.22 -179.666 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.41 ' HB1' ' HB3' ' B' ' 78' ' ' TYR . . . . . . . . 0 N--CA 1.456 -0.143 0 CA-C-O 120.768 0.318 . . . . 31.22 110.872 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -67.64 -53.22 29.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.993 0.425 . . . . 27.96 110.45 179.63 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 1.5 ttp180 -59.55 -47.43 85.59 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.88 -0.6 . . . . 28.01 110.349 179.468 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 15.0 mt -53.68 -49.83 67.16 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.691 -0.686 . . . . 29.62 110.767 179.637 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -52.07 -41.43 62.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 24.76 110.806 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -73.97 -37.18 64.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.002 -0.545 . . . . 26.26 110.665 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -66.79 -44.41 81.35 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.129 -0.487 . . . . 25.57 110.736 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.586 ' HA ' HD12 ' A' ' 65' ' ' LEU . 1.9 mm-40 -68.83 -37.29 79.08 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.061 -0.518 . . . . 19.17 110.494 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 33.2 p -68.43 -35.66 77.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.006 -0.543 . . . . 16.13 110.666 179.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.87 -43.69 98.33 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.241 -0.436 . . . . 18.21 110.657 179.766 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.586 HD12 ' HA ' ' A' ' 62' ' ' GLN . 9.5 mt -57.71 -42.63 84.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.07 -0.513 . . . . 17.4 110.632 179.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 48.9 t -67.45 -47.1 81.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 9.81 110.982 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 53.2 tttt -56.86 -59.98 4.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.439 . . . . 17.36 110.367 179.662 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 4.9 ttmt -54.13 -33.25 57.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 22.35 110.071 179.414 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 7.8 tmm? -66.66 -44.5 81.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.86 -0.609 . . . . 9.07 110.212 179.506 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.43 HG13 ' HG ' ' A' ' 74' ' ' LEU . 66.0 t -68.66 -35.86 71.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.102 -0.499 . . . . 6.41 110.491 179.494 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.487 ' CZ ' ' HD3' ' A' ' 75' ' ' LYS . 64.2 t80 -54.7 -58.71 6.45 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.068 -0.514 . . . . 17.33 110.216 179.614 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -53.27 -49.45 66.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.253 -0.431 . . . . 11.22 110.7 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 17.6 m -60.04 -69.68 0.2 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.269 -0.423 . . . . 11.52 110.3 179.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.511 HD23 HD23 ' A' ' 77' ' ' LEU . 16.6 mt -50.57 -36.37 34.36 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.996 -0.547 . . . . 18.45 111.211 -179.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.487 ' HD3' ' CZ ' ' A' ' 71' ' ' PHE . 7.6 ttpp -55.5 -69.35 0.14 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.094 0.473 . . . . 20.91 110.171 179.534 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.65 -26.73 68.19 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.635 -0.711 . . . . 16.05 110.878 179.801 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.631 ' C ' HD12 ' A' ' 77' ' ' LEU . 0.5 OUTLIER -67.83 -59.72 3.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.311 -0.404 . . . . 19.24 110.582 179.909 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.688 ' OH ' HG13 ' D' ' 70' ' ' VAL . 18.9 m-85 -59.18 -24.0 62.71 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.818 0.342 . . . . 26.15 110.671 179.678 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 7.0 mmtt -68.06 -34.17 75.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 27.34 110.591 179.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 18.9 tttt -69.53 -29.28 66.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.492 . . . . 30.58 110.974 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 34.44 111.051 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.785 0.326 . . . . 33.27 110.762 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -54.47 -38.13 66.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 32.5 110.97 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.72 -45.32 52.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.042 -0.526 . . . . 30.06 110.792 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -53.8 -36.14 62.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 25.73 110.962 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . 0.914 HD22 HG23 ' D' ' 73' ' ' THR . 17.1 mt -74.2 -58.52 3.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 18.08 110.953 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -42.9 -30.12 0.38 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.063 -0.517 . . . . 19.09 111.117 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 60' ' ' ASP . . . . . 0.474 ' HA ' ' HG ' ' B' ' 63' ' ' SER . 40.1 t0 -85.11 -36.63 21.02 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.876 -0.602 . . . . 23.75 110.831 179.641 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 61' ' ' GLU . . . . . 0.417 ' N ' ' O ' ' B' ' 58' ' ' LEU . 12.6 tp10 -71.69 -47.94 50.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.053 0.454 . . . . 16.7 110.572 179.693 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . 0.486 ' HB2' ' CD1' ' A' ' 74' ' ' LEU . 2.0 mm-40 -68.95 -35.29 76.59 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.051 -0.522 . . . . 14.99 111.145 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 63' ' ' SER . . . . . 0.474 ' HG ' ' HA ' ' B' ' 60' ' ' ASP . 65.5 p -66.11 -54.94 19.38 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.696 0.284 . . . . 12.59 110.83 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . 0.44 ' HG3' ' N ' ' B' ' 65' ' ' LEU . 0.4 OUTLIER -52.15 -30.01 24.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.95 0.405 . . . . 7.73 110.586 179.703 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . 0.44 ' N ' ' HG3' ' B' ' 64' ' ' GLU . 0.1 OUTLIER -67.26 -37.03 82.82 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.07 -0.514 . . . . 5.36 110.805 179.661 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . 0.529 HG13 ' HE2' ' B' ' 69' ' ' MET . 3.5 t -67.24 -34.38 68.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 6.1 111.113 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 2.7 ttpt -61.18 -62.29 1.95 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.204 -0.453 . . . . 15.65 110.899 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 9.3 ptmt -55.0 -26.65 38.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.881 0.372 . . . . 16.67 110.537 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 69' ' ' MET . . . . . 0.529 ' HE2' HG13 ' B' ' 66' ' ' VAL . 41.4 ttp -73.33 -53.29 11.14 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.154 -0.475 . . . . 13.11 110.793 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.72 HG13 ' OH ' ' C' ' 78' ' ' TYR . 66.4 t -76.65 -21.49 14.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 15.48 111.116 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 25.0 t80 -64.51 -45.15 88.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.93 0.395 . . . . 24.98 110.319 179.605 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -68.28 -41.77 80.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.017 -0.538 . . . . 28.8 110.463 179.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 73' ' ' THR . . . . . 0.884 HG23 HD22 ' D' ' 58' ' ' LEU . 29.0 m -56.85 -53.03 62.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.488 . . . . 22.15 110.759 179.672 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 74' ' ' LEU . . . . . 0.508 ' HA ' HD12 ' B' ' 77' ' ' LEU . 16.1 mt -57.02 -40.38 76.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.126 -0.488 . . . . 21.19 110.693 179.727 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 15.4 ttpp -49.55 -44.72 46.87 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.159 -0.473 . . . . 27.05 110.654 179.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -73.42 -37.93 65.72 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.816 -0.629 . . . . 31.45 110.299 179.536 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.508 HD12 ' HA ' ' B' ' 74' ' ' LEU . 11.3 mt -54.47 -51.44 65.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.005 -0.543 . . . . 30.96 110.514 179.679 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 78' ' ' TYR . . . . . 0.41 ' HB3' ' HB1' ' A' ' 55' ' ' ALA . 48.4 m-85 -73.91 -37.98 64.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.1 -0.5 . . . . 32.42 110.823 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 7.9 ttmm . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 40.83 110.76 179.963 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.164 0 CA-C-O 120.785 0.326 . . . . 35.52 110.907 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -67.71 -52.8 33.46 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.317 -0.401 . . . . 30.83 110.461 179.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 57' ' ' ARG . . . . . . . . . . . . . 1.5 ttp180 -59.99 -47.17 86.95 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.928 -0.578 . . . . 39.08 110.286 179.527 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 14.8 mt -53.72 -50.06 66.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.683 -0.689 . . . . 26.89 110.766 179.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.88 -41.52 61.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.134 -0.485 . . . . 20.54 110.887 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -73.92 -37.09 64.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.093 -0.503 . . . . 19.86 110.757 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -66.87 -44.27 81.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 22.16 110.781 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 62' ' ' GLN . . . . . 0.598 ' HA ' HD12 ' C' ' 65' ' ' LEU . 2.0 mm-40 -68.88 -37.48 79.07 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.058 -0.519 . . . . 24.76 110.515 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 63' ' ' SER . . . . . 0.407 ' HB2' ' HG2' ' D' ' 67' ' ' LYS . 34.4 p -68.29 -35.73 78.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.985 -0.552 . . . . 17.95 110.617 179.797 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.95 -43.48 98.75 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.239 -0.437 . . . . 26.64 110.631 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 65' ' ' LEU . . . . . 0.598 HD12 ' HA ' ' C' ' 62' ' ' GLN . 9.5 mt -57.99 -42.47 85.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.09 -0.504 . . . . 18.1 110.69 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 66' ' ' VAL . . . . . . . . . . . . . 50.1 t -67.47 -47.23 81.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.12 -0.491 . . . . 14.98 110.945 179.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 67' ' ' LYS . . . . . . . . . . . . . 53.5 tttt -56.67 -60.33 3.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.274 -0.421 . . . . 10.58 110.346 179.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 68' ' ' LYS . . . . . . . . . . . . . 4.9 ttmt -53.9 -33.27 56.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 12.56 110.147 179.401 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 69' ' ' MET . . . . . . . . . . . . . 7.6 tmm? -66.55 -44.55 82.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.84 -0.618 . . . . 8.24 110.223 179.535 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 70' ' ' VAL . . . . . 0.436 HG13 ' HG ' ' C' ' 74' ' ' LEU . 71.6 t -68.58 -36.22 73.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.063 -0.517 . . . . 9.26 110.471 179.535 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 71' ' ' PHE . . . . . 0.483 ' CZ ' ' HD3' ' C' ' 75' ' ' LYS . 64.6 t80 -54.14 -58.89 5.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.055 -0.521 . . . . 13.4 110.273 179.621 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -53.1 -49.51 66.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 12.9 110.669 179.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 73' ' ' THR . . . . . . . . . . . . . 17.7 m -60.16 -69.47 0.22 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.311 -0.404 . . . . 11.68 110.37 179.671 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 74' ' ' LEU . . . . . 0.489 HD23 HD23 ' C' ' 77' ' ' LEU . 16.2 mt -50.82 -36.37 37.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.063 -0.517 . . . . 13.51 111.092 -179.784 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 75' ' ' LYS . . . . . 0.483 ' HD3' ' CZ ' ' C' ' 71' ' ' PHE . 7.6 ttpp -55.45 -69.4 0.14 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.093 0.473 . . . . 13.75 110.229 179.497 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 76' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.37 -26.98 68.19 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.692 -0.685 . . . . 17.15 110.923 179.663 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 77' ' ' LEU . . . . . 0.643 HD12 ' C ' ' C' ' 77' ' ' LEU . 0.5 OUTLIER -67.72 -59.89 2.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.304 -0.407 . . . . 21.18 110.615 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' C' C ' 78' ' ' TYR . . . . . 0.72 ' OH ' HG13 ' B' ' 70' ' ' VAL . 19.1 m-85 -59.22 -23.51 62.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.492 -0.322 . . . . 25.28 110.619 179.732 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 6.9 mmtt -68.47 -34.04 75.23 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.307 -0.406 . . . . 28.23 110.65 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 19.0 tttt -69.54 -29.39 66.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.045 -0.525 . . . . 27.83 110.891 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 33.9 111.089 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.827 0.346 . . . . 33.54 110.75 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 55' ' ' ALA . . . . . . . . . . . . . . . -54.55 -38.28 66.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.479 . . . . 30.33 110.853 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.58 -45.2 54.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 32.09 110.786 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 57' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -54.04 -35.87 62.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.485 . . . . 29.16 110.888 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 58' ' ' LEU . . . . . 0.884 HD22 HG23 ' B' ' 73' ' ' THR . 17.6 mt -74.41 -58.59 3.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 22.27 110.904 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 59' ' ' ALA . . . . . . . . . . . . . . . -42.92 -30.02 0.37 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.042 -0.526 . . . . 19.74 111.109 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 60' ' ' ASP . . . . . 0.451 ' HA ' ' HG ' ' D' ' 63' ' ' SER . 40.1 t0 -85.22 -36.56 20.88 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.907 -0.588 . . . . 18.2 110.863 179.658 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 61' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' D' ' 58' ' ' LEU . 12.6 tp10 -71.68 -47.95 50.76 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.185 -0.461 . . . . 11.66 110.581 179.564 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 62' ' ' GLN . . . . . 0.487 ' HB2' ' CD1' ' C' ' 74' ' ' LEU . 1.9 mm-40 -69.03 -35.35 76.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.056 -0.52 . . . . 10.95 111.154 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 63' ' ' SER . . . . . 0.451 ' HG ' ' HA ' ' D' ' 60' ' ' ASP . 65.4 p -65.99 -54.94 19.67 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.712 0.292 . . . . 16.64 110.798 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 64' ' ' GLU . . . . . 0.444 ' HG3' ' N ' ' D' ' 65' ' ' LEU . 0.4 OUTLIER -52.28 -29.87 25.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.871 0.367 . . . . 16.53 110.594 179.695 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' D' D ' 65' ' ' LEU . . . . . 0.444 ' N ' ' HG3' ' D' ' 64' ' ' GLU . 0.1 OUTLIER -67.51 -36.91 81.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.109 -0.496 . . . . 10.04 110.712 179.78 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' D' D ' 66' ' ' VAL . . . . . 0.535 HG13 ' HE2' ' D' ' 69' ' ' MET . 3.6 t -67.33 -34.44 68.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.197 -0.456 . . . . 8.58 111.087 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 67' ' ' LYS . . . . . 0.407 ' HG2' ' HB2' ' C' ' 63' ' ' SER . 2.6 ttpt -61.31 -61.97 2.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 14.7 110.934 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 68' ' ' LYS . . . . . . . . . . . . . 9.2 ptmt -55.21 -26.67 40.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.829 0.347 . . . . 8.46 110.49 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 69' ' ' MET . . . . . 0.535 ' HE2' HG13 ' D' ' 66' ' ' VAL . 41.7 ttp -73.45 -53.15 11.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.068 -0.514 . . . . 10.95 110.774 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 70' ' ' VAL . . . . . 0.688 HG13 ' OH ' ' A' ' 78' ' ' TYR . 67.8 t -76.72 -21.33 14.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 10.75 111.145 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 25.6 t80 -64.87 -44.71 88.79 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.351 -0.386 . . . . 17.99 110.42 179.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -68.54 -41.6 79.65 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.084 -0.507 . . . . 23.51 110.448 179.506 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 73' ' ' THR . . . . . 0.914 HG23 HD22 ' B' ' 58' ' ' LEU . 29.1 m -56.98 -53.14 61.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.09 -0.505 . . . . 23.44 110.629 179.722 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 74' ' ' LEU . . . . . 0.501 ' HA ' HD12 ' D' ' 77' ' ' LEU . 16.4 mt -56.99 -40.47 76.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 27.22 110.57 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 75' ' ' LYS . . . . . . . . . . . . . 15.4 ttpp -49.44 -44.82 45.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 28.87 110.563 179.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 76' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -73.2 -38.14 66.21 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.903 -0.589 . . . . 28.65 110.413 179.466 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 77' ' ' LEU . . . . . 0.501 HD12 ' HA ' ' D' ' 74' ' ' LEU . 11.4 mt -54.39 -51.12 65.84 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.94 -0.573 . . . . 28.73 110.675 179.663 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 78' ' ' TYR . . . . . . . . . . . . . 47.3 m-85 -74.05 -38.2 64.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.052 -0.522 . . . . 34.35 110.777 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 79' ' ' LYS . . . . . . . . . . . . . 8.0 ttmm . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.058 -0.519 . . . . 43.2 110.8 179.927 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.422 ' HB1' ' CB ' ' B' ' 78' ' ' TYR . . . . . . . . 0 N--CA 1.456 -0.169 0 CA-C-O 120.813 0.339 . . . . 34.94 111.121 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -64.86 -56.61 12.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 30.09 110.89 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.454 ' HG3' ' N ' ' A' ' 58' ' ' LEU . 3.4 ptt180 -66.89 -48.37 68.92 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.92 -0.582 . . . . 39.32 110.444 179.812 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.48 ' O ' HD23 ' A' ' 58' ' ' LEU . 0.3 OUTLIER -51.38 -43.82 62.0 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.738 -0.665 . . . . 27.43 110.396 179.344 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.19 -40.67 82.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.014 -0.539 . . . . 21.15 111.009 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -55.29 -40.2 70.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.039 -0.528 . . . . 18.62 110.836 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.74 -58.53 7.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 20.52 110.838 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.679 ' HA ' HD12 ' A' ' 65' ' ' LEU . 6.2 mp0 -51.0 -52.68 40.41 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.99 -0.55 . . . . 24.16 110.761 179.82 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 96.7 p -55.25 -30.4 59.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.121 -0.491 . . . . 18.4 110.834 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 54.8 tt0 -67.78 -50.46 56.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 26.32 110.764 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.679 HD12 ' HA ' ' A' ' 62' ' ' GLN . 3.7 mt -53.47 -39.54 64.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 19.31 110.719 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 59.1 t -69.05 -44.25 81.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.068 -0.515 . . . . 15.24 110.921 179.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.403 ' HG3' ' HB3' ' B' ' 63' ' ' SER . 19.0 tttt -61.0 -51.28 69.89 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.052 -0.522 . . . . 8.86 110.629 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.2 ttpt -56.63 -29.41 62.18 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.195 -0.457 . . . . 14.09 110.389 179.588 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 50.2 ttp -70.0 -42.41 73.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.988 -0.551 . . . . 8.3 110.596 179.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 59.6 t -70.12 -42.87 79.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.082 -0.508 . . . . 9.35 110.763 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.407 ' O ' ' HB2' ' A' ' 75' ' ' LYS . 46.3 t80 -50.61 -61.6 2.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.462 -0.335 . . . . 15.36 110.514 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -50.72 -45.14 58.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.351 -0.386 . . . . 14.26 110.517 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.1 m -62.3 -72.44 0.13 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.035 -0.529 . . . . 10.51 110.219 179.494 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.787 HD12 ' HB2' ' B' ' 62' ' ' GLN . 12.7 mt -49.53 -34.29 16.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.102 -0.499 . . . . 13.06 111.078 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.407 ' HB2' ' O ' ' A' ' 71' ' ' PHE . 2.3 ttpt -54.18 -67.6 0.25 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.104 -0.498 . . . . 14.95 110.301 179.697 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -64.71 -31.17 72.27 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.739 -0.664 . . . . 18.31 111.089 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.649 ' O ' HD12 ' A' ' 77' ' ' LEU . 0.9 OUTLIER -65.07 -57.53 8.39 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.348 -0.387 . . . . 21.59 110.824 -179.854 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.491 ' OH ' HD13 ' A' ' 74' ' ' LEU . 22.1 m-30 -61.23 -22.78 65.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.373 -0.376 . . . . 26.35 110.929 179.735 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -71.48 -32.39 68.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.374 -0.375 . . . . 24.46 110.588 179.793 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.4 -39.69 85.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 29.51 110.85 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.18 -0.464 . . . . 33.94 110.877 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.847 0.356 . . . . 33.12 110.662 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.1 -45.08 83.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.089 -0.505 . . . . 29.59 110.892 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -64.68 -56.07 16.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.015 -0.539 . . . . 34.22 110.691 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 28.8 mtt-85 -52.01 -28.62 17.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 26.57 110.478 179.672 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . 0.461 HD22 HG23 ' D' ' 73' ' ' THR . 14.9 mt -71.05 -60.05 2.45 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.976 -0.556 . . . . 22.47 110.621 179.707 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -49.29 -38.05 26.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.904 -0.589 . . . . 20.16 110.901 179.624 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -59.09 -45.19 91.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.071 -0.513 . . . . 19.68 110.451 179.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -62.02 -40.83 97.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.091 -0.504 . . . . 12.2 110.446 179.602 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . 0.831 ' O ' HG23 ' B' ' 66' ' ' VAL . 2.4 mm-40 -66.39 -46.3 77.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.026 -0.534 . . . . 10.83 110.505 179.629 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 63' ' ' SER . . . . . 0.403 ' HB3' ' HG3' ' A' ' 67' ' ' LYS . 1.4 m -55.7 -65.02 0.67 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.015 -0.539 . . . . 16.6 110.805 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . 0.43 ' HG3' ' N ' ' B' ' 65' ' ' LEU . 1.3 pt-20 -49.43 -30.52 8.11 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.253 -0.431 . . . . 16.04 110.861 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . 0.43 ' N ' ' HG3' ' B' ' 64' ' ' GLU . 0.2 OUTLIER -72.19 -42.79 65.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 10.26 110.546 179.717 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . 0.831 HG23 ' O ' ' B' ' 62' ' ' GLN . 19.0 t -63.79 -34.28 67.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.123 -0.49 . . . . 8.06 110.991 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 12.6 ttpt -64.11 -51.81 62.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 11.36 110.802 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.7 -32.03 68.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.284 -0.416 . . . . 9.15 110.706 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 69' ' ' MET . . . . . 0.417 ' CE ' ' HB3' ' D' ' 62' ' ' GLN . 29.2 ttp -71.5 -50.59 29.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 11.07 110.79 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 93.0 t -75.59 -23.18 16.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.098 -0.501 . . . . 10.71 111.06 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -63.47 -44.19 95.16 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.294 -0.412 . . . . 17.78 110.668 179.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 43.6 t0 -69.94 -41.14 74.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 23.39 110.683 179.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 73' ' ' THR . . . . . 0.469 HG21 ' CZ ' ' C' ' 78' ' ' TYR . 99.4 m -54.6 -59.08 5.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 24.42 110.836 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 74' ' ' LEU . . . . . 0.64 HD23 HD12 ' B' ' 77' ' ' LEU . 72.8 mt -50.6 -38.44 45.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 27.06 110.805 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 44.9 tttm -52.93 -51.81 60.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.032 0.444 . . . . 28.93 110.628 179.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -68.49 -32.4 72.35 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.858 -0.61 . . . . 28.23 110.672 179.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.64 HD12 HD23 ' B' ' 74' ' ' LEU . 20.7 mt -61.74 -44.99 95.83 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.054 -0.521 . . . . 28.77 110.579 179.795 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 78' ' ' TYR . . . . . 0.422 ' CB ' ' HB1' ' A' ' 55' ' ' ALA . 4.5 m-85 -84.12 -27.33 28.25 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.006 -0.543 . . . . 34.06 110.747 179.814 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.058 -0.519 . . . . 43.3 110.738 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.111 0 CA-C-O 120.843 0.354 . . . . 30.08 111.141 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -64.97 -56.44 13.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 27.08 110.949 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 57' ' ' ARG . . . . . 0.447 ' HG3' ' N ' ' C' ' 58' ' ' LEU . 3.4 ptt180 -67.12 -48.16 68.94 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.954 -0.566 . . . . 27.35 110.362 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 58' ' ' LEU . . . . . 0.476 ' O ' HD23 ' C' ' 58' ' ' LEU . 0.3 OUTLIER -51.53 -43.72 62.39 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.748 -0.66 . . . . 27.52 110.396 179.417 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.35 -40.67 82.8 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.998 -0.546 . . . . 24.83 110.975 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -55.15 -40.21 70.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.108 -0.497 . . . . 26.92 110.9 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.59 -58.71 7.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 28.15 110.893 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 62' ' ' GLN . . . . . 0.667 ' HA ' HD12 ' C' ' 65' ' ' LEU . 6.2 mp0 -50.96 -52.59 40.98 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.951 -0.568 . . . . 19.97 110.755 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 63' ' ' SER . . . . . . . . . . . . . 98.6 p -55.24 -30.57 60.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.081 -0.509 . . . . 16.07 110.762 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 54.6 tt0 -67.72 -50.28 58.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 18.59 110.816 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 65' ' ' LEU . . . . . 0.667 HD12 ' HA ' ' C' ' 62' ' ' GLN . 3.7 mt -53.61 -39.7 65.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 16.5 110.637 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 66' ' ' VAL . . . . . . . . . . . . . 55.1 t -69.09 -44.01 81.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 10.1 110.951 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 67' ' ' LYS . . . . . 0.435 ' HG3' ' HB3' ' D' ' 63' ' ' SER . 18.9 tttt -61.14 -51.17 70.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.996 -0.547 . . . . 18.83 110.561 179.83 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 68' ' ' LYS . . . . . . . . . . . . . 1.2 ttpt -56.73 -29.55 62.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.291 -0.413 . . . . 21.74 110.371 179.627 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 69' ' ' MET . . . . . . . . . . . . . 50.6 ttp -69.76 -42.5 73.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.958 -0.565 . . . . 8.21 110.646 179.674 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 63.5 t -70.09 -42.99 79.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.139 -0.482 . . . . 4.91 110.762 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 71' ' ' PHE . . . . . 0.406 ' O ' ' HB2' ' C' ' 75' ' ' LYS . 46.6 t80 -50.47 -61.44 2.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.462 -0.336 . . . . 14.68 110.604 179.833 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -50.84 -45.08 59.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.346 -0.388 . . . . 7.24 110.529 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 73' ' ' THR . . . . . . . . . . . . . 18.1 m -62.32 -72.46 0.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.067 -0.515 . . . . 12.93 110.314 179.465 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 74' ' ' LEU . . . . . 0.779 HD12 ' HB2' ' D' ' 62' ' ' GLN . 13.2 mt -49.7 -34.14 17.9 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.154 -0.475 . . . . 18.91 111.006 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 75' ' ' LYS . . . . . 0.406 ' HB2' ' O ' ' C' ' 71' ' ' PHE . 2.3 ttpt -54.18 -67.58 0.25 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.19 -0.459 . . . . 19.25 110.283 179.632 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 76' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -64.78 -31.18 72.29 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.736 -0.666 . . . . 15.45 111.072 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 77' ' ' LEU . . . . . 0.635 ' O ' HD12 ' C' ' 77' ' ' LEU . 0.9 OUTLIER -65.15 -57.32 8.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.355 -0.384 . . . . 19.51 110.804 -179.832 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' C' C ' 78' ' ' TYR . . . . . 0.507 ' OH ' HD13 ' C' ' 74' ' ' LEU . 22.1 m-30 -61.33 -22.87 65.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.361 -0.381 . . . . 25.89 110.902 179.704 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -71.54 -32.02 67.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.388 -0.369 . . . . 27.31 110.601 179.829 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.55 -39.95 84.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.276 -0.42 . . . . 30.33 110.834 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 81' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.067 -0.515 . . . . 34.19 110.939 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.457 -0.076 0 CA-C-O 120.843 0.354 . . . . 34.31 110.662 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.09 -45.0 83.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.065 -0.516 . . . . 33.38 110.895 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -64.83 -56.1 15.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.016 -0.538 . . . . 31.95 110.635 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 57' ' ' ARG . . . . . . . . . . . . . 29.7 mtt-85 -51.96 -28.72 17.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 26.11 110.489 179.66 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 58' ' ' LEU . . . . . 0.419 HD22 HG23 ' B' ' 73' ' ' THR . 14.8 mt -70.96 -59.93 2.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.944 -0.571 . . . . 18.83 110.555 179.683 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 59' ' ' ALA . . . . . . . . . . . . . . . -49.47 -37.95 28.09 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.873 -0.603 . . . . 18.13 110.889 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 60' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -59.21 -45.04 92.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.045 -0.525 . . . . 23.21 110.58 179.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 61' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -62.1 -40.98 97.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.064 -0.516 . . . . 16.49 110.451 179.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 62' ' ' GLN . . . . . 0.839 ' O ' HG23 ' D' ' 66' ' ' VAL . 2.6 mm-40 -66.22 -46.4 77.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.95 -0.568 . . . . 15.14 110.512 179.647 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 63' ' ' SER . . . . . 0.435 ' HB3' ' HG3' ' C' ' 67' ' ' LYS . 1.4 m -55.69 -64.7 0.77 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.949 -0.569 . . . . 13.75 110.885 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 64' ' ' GLU . . . . . 0.434 ' HG3' ' N ' ' D' ' 65' ' ' LEU . 1.3 pt-20 -49.61 -30.67 9.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.285 -0.416 . . . . 10.31 110.712 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 65' ' ' LEU . . . . . 0.434 ' N ' ' HG3' ' D' ' 64' ' ' GLU . 0.2 OUTLIER -71.93 -42.7 66.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.118 -0.492 . . . . 5.27 110.533 179.688 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' D' D ' 66' ' ' VAL . . . . . 0.839 HG23 ' O ' ' D' ' 62' ' ' GLN . 18.9 t -63.88 -34.21 66.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 7.06 111.049 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 67' ' ' LYS . . . . . . . . . . . . . 12.6 ttpt -64.29 -51.69 62.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.098 -0.501 . . . . 18.59 110.806 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.85 -31.97 69.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.424 . . . . 18.56 110.805 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 69' ' ' MET . . . . . 0.436 ' CE ' ' HB3' ' B' ' 62' ' ' GLN . 30.1 ttp -71.65 -50.36 31.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.059 -0.519 . . . . 12.83 110.795 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 70' ' ' VAL . . . . . . . . . . . . . 91.8 t -75.77 -23.23 16.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.054 -0.521 . . . . 15.35 111.044 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -63.42 -44.15 95.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.313 -0.403 . . . . 24.86 110.635 179.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 43.9 t0 -69.94 -40.95 75.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.106 -0.497 . . . . 28.14 110.751 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 73' ' ' THR . . . . . 0.472 HG21 ' CZ ' ' A' ' 78' ' ' TYR . 99.4 m -54.86 -59.14 5.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.131 -0.486 . . . . 21.03 110.799 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 74' ' ' LEU . . . . . 0.65 HD23 HD12 ' D' ' 77' ' ' LEU . 72.7 mt -50.27 -38.78 42.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.434 . . . . 21.29 110.786 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 75' ' ' LYS . . . . . . . . . . . . . 44.9 tttm -52.64 -51.98 57.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 27.86 110.652 179.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 76' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -68.5 -32.33 72.23 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.876 -0.602 . . . . 31.22 110.605 179.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 77' ' ' LEU . . . . . 0.65 HD12 HD23 ' D' ' 74' ' ' LEU . 20.3 mt -61.77 -44.79 96.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 30.8 110.581 179.743 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 78' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -84.45 -27.16 27.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.036 -0.529 . . . . 33.12 110.647 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 79' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 39.17 110.794 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.769 ' HB1' ' HB3' ' B' ' 78' ' ' TYR . . . . . . . . 0 N--CA 1.456 -0.139 0 CA-C-O 120.861 0.362 . . . . 31.69 110.799 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -70.66 -55.29 9.07 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.193 -0.458 . . . . 29.15 110.446 179.674 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.09 -42.78 99.14 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.912 -0.585 . . . . 28.55 110.339 179.574 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.47 ' HA ' HD23 ' A' ' 58' ' ' LEU . 16.2 mt -57.79 -50.13 74.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.767 -0.651 . . . . 30.42 110.762 179.648 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -49.99 -36.11 27.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.235 -0.439 . . . . 25.12 110.876 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -71.37 -32.03 68.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.129 -0.487 . . . . 25.55 110.518 179.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -72.54 -42.68 64.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.076 -0.511 . . . . 26.97 110.503 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.729 ' HA ' HD12 ' A' ' 65' ' ' LEU . 42.5 mm-40 -62.64 -49.23 76.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.917 -0.583 . . . . 19.0 110.507 179.725 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.0 m -58.93 -35.14 72.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.104 -0.498 . . . . 16.14 110.512 179.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.6 -47.83 84.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.043 -0.526 . . . . 18.31 110.511 179.691 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.729 HD12 ' HA ' ' A' ' 62' ' ' GLN . 2.8 mt -57.82 -39.69 78.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 18.11 110.382 179.736 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.448 ' O ' HG23 ' A' ' 70' ' ' VAL . 55.7 t -71.52 -51.58 32.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.048 -0.524 . . . . 10.02 110.839 179.639 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 6.9 tttt -57.23 -46.07 83.32 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.176 -0.465 . . . . 16.92 110.406 179.587 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 15.0 ttmt -65.32 -39.5 92.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 22.19 110.207 179.465 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 5.4 tmm? -64.06 -37.43 87.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.841 -0.618 . . . . 9.34 110.265 179.488 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.45 HG13 ' HG ' ' A' ' 74' ' ' LEU . 75.7 t -72.78 -38.01 56.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.006 -0.543 . . . . 6.81 110.765 179.76 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.51 ' CE1' ' HD3' ' A' ' 75' ' ' LYS . 10.3 t80 -54.73 -56.85 14.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.461 -0.336 . . . . 18.08 110.518 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -53.81 -45.3 70.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.259 -0.428 . . . . 12.14 110.558 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.3 m -65.52 -67.4 0.44 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 11.11 110.279 179.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.471 ' HB3' ' CE2' ' A' ' 78' ' ' TYR . 12.2 mt -50.69 -36.97 38.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.309 -0.405 . . . . 18.26 110.826 179.842 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.51 ' HD3' ' CE1' ' A' ' 71' ' ' PHE . 3.9 ttpp -54.31 -69.29 0.13 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.128 -0.487 . . . . 21.35 110.115 179.41 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -62.07 -32.45 72.98 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.626 -0.715 . . . . 16.69 110.952 179.719 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.748 ' O ' HD12 ' A' ' 77' ' ' LEU . 0.7 OUTLIER -61.81 -52.5 63.93 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.433 -0.349 . . . . 19.39 110.451 179.867 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.515 ' CD1' HD11 ' D' ' 77' ' ' LEU . 20.6 m-85 -65.59 -19.84 66.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.302 -0.408 . . . . 26.34 110.751 179.434 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 5.7 ttmm -74.64 -27.63 60.52 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.259 -0.428 . . . . 27.31 110.614 179.556 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.48 -28.47 63.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 30.86 110.914 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 34.24 110.951 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 3.9 p30 . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.937 0.399 . . . . 32.98 110.837 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -54.7 -29.31 52.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.092 -0.503 . . . . 31.99 111.027 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -73.8 -54.36 8.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 29.15 110.907 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 5.7 mtm-85 -53.24 -43.23 67.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 22.31 110.868 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . 0.898 HD22 HG23 ' D' ' 73' ' ' THR . 81.8 mt -59.34 -59.56 5.26 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.129 -0.487 . . . . 17.87 110.734 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -49.02 -30.88 6.66 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.998 -0.546 . . . . 18.74 111.022 179.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 39.7 t0 -71.76 -62.23 1.49 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 23.08 110.712 179.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -57.41 -37.57 72.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 17.04 110.557 179.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . 0.447 ' O ' HG23 ' B' ' 66' ' ' VAL . 0.1 OUTLIER -71.14 -41.98 69.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.025 -0.534 . . . . 14.92 110.686 179.731 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 81.2 p -68.66 -56.33 8.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.235 -0.439 . . . . 12.69 110.773 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -49.96 -30.76 11.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.299 -0.41 . . . . 7.71 110.597 179.602 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.75 -44.22 86.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.972 -0.558 . . . . 5.66 110.58 179.629 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . 0.447 HG23 ' O ' ' B' ' 62' ' ' GLN . 13.3 t -60.93 -33.05 54.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.017 -0.538 . . . . 5.95 110.881 179.751 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 4.9 ttmt -61.75 -62.83 1.52 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.044 -0.525 . . . . 15.54 110.667 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 18.1 mttt -55.35 -27.12 45.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.22 -0.445 . . . . 18.38 110.481 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 69' ' ' MET . . . . . . . . . . . . . 29.4 ttp -74.88 -52.42 11.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 12.91 110.649 179.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.433 HG23 ' O ' ' B' ' 66' ' ' VAL . 59.9 t -73.57 -22.91 19.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.09 -0.504 . . . . 15.2 110.899 179.722 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -66.14 -45.34 81.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.329 -0.396 . . . . 24.78 110.376 179.582 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -63.78 -41.62 97.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.086 -0.506 . . . . 28.24 110.497 179.6 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 73' ' ' THR . . . . . 0.906 HG23 HD22 ' D' ' 58' ' ' LEU . 74.1 m -60.62 -57.31 13.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.112 -0.495 . . . . 22.26 110.839 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 74' ' ' LEU . . . . . 0.607 ' HA ' HD12 ' B' ' 77' ' ' LEU . 30.4 mt -51.15 -42.85 61.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.262 -0.426 . . . . 20.79 110.745 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 19.2 tttt -50.99 -42.17 60.05 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.271 -0.422 . . . . 26.3 110.559 179.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 76' ' ' ASP . . . . . 0.403 ' N ' ' OD1' ' B' ' 76' ' ' ASP . 0.7 OUTLIER -78.04 -30.37 49.84 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.98 -0.554 . . . . 29.74 110.548 179.554 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.612 HD11 ' CD1' ' C' ' 78' ' ' TYR . 43.8 mt -64.02 -46.58 83.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.913 -0.585 . . . . 30.2 110.47 179.696 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 78' ' ' TYR . . . . . 0.769 ' HB3' ' HB1' ' A' ' 55' ' ' ALA . 5.6 m-85 -79.19 -39.39 33.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.987 -0.551 . . . . 31.55 110.611 179.756 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 3.8 ttmm . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.103 -0.499 . . . . 40.25 110.743 179.931 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' C' C ' 55' ' ' ALA . . . . . 0.736 ' HB1' ' HB3' ' D' ' 78' ' ' TYR . . . . . . . . 0 N--CA 1.455 -0.2 0 CA-C-O 120.909 0.385 . . . . 35.14 110.907 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -70.35 -55.37 9.29 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.125 -0.488 . . . . 30.47 110.497 179.665 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.06 -42.82 99.21 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.861 -0.609 . . . . 37.6 110.358 179.553 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 58' ' ' LEU . . . . . 0.474 HD23 ' HA ' ' C' ' 58' ' ' LEU . 16.0 mt -57.84 -49.98 74.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.733 -0.667 . . . . 26.51 110.701 179.717 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -50.23 -36.01 29.14 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.163 -0.471 . . . . 20.55 110.886 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -71.32 -32.11 68.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 20.18 110.497 179.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -72.33 -42.65 65.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.071 -0.513 . . . . 22.29 110.584 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 62' ' ' GLN . . . . . 0.728 ' HA ' HD12 ' C' ' 65' ' ' LEU . 42.7 mm-40 -62.7 -49.23 75.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.958 -0.565 . . . . 24.77 110.516 179.768 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 63' ' ' SER . . . . . . . . . . . . . 4.1 m -58.84 -35.2 72.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.104 -0.498 . . . . 16.79 110.486 179.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.62 -47.93 83.67 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.082 -0.508 . . . . 25.31 110.593 179.687 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 65' ' ' LEU . . . . . 0.728 HD12 ' HA ' ' C' ' 62' ' ' GLN . 2.9 mt -57.49 -39.98 77.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.119 -0.491 . . . . 17.61 110.384 179.597 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 66' ' ' VAL . . . . . 0.453 ' O ' HG23 ' C' ' 70' ' ' VAL . 55.5 t -71.24 -51.67 32.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.013 -0.54 . . . . 14.9 110.857 179.678 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 67' ' ' LYS . . . . . . . . . . . . . 6.8 tttt -57.32 -45.93 83.75 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.101 -0.5 . . . . 11.32 110.492 179.588 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 68' ' ' LYS . . . . . . . . . . . . . 15.0 ttmt -65.41 -39.66 92.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 12.28 110.116 179.467 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 69' ' ' MET . . . . . . . . . . . . . 5.4 tmm? -63.85 -37.57 87.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.867 -0.606 . . . . 8.23 110.325 179.47 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 70' ' ' VAL . . . . . 0.453 HG23 ' O ' ' C' ' 66' ' ' VAL . 76.1 t -72.67 -38.17 57.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.012 -0.54 . . . . 9.03 110.751 179.74 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 71' ' ' PHE . . . . . 0.517 ' CE1' ' HD3' ' C' ' 75' ' ' LYS . 10.1 t80 -54.53 -56.91 13.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.485 -0.325 . . . . 11.77 110.438 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -53.74 -45.17 70.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.265 -0.425 . . . . 11.94 110.624 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 73' ' ' THR . . . . . . . . . . . . . 18.9 m -65.63 -67.14 0.46 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 12.23 110.419 179.58 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 74' ' ' LEU . . . . . 0.485 ' HB3' ' CE2' ' C' ' 78' ' ' TYR . 12.5 mt -51.16 -36.57 41.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.276 -0.42 . . . . 13.9 110.796 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 75' ' ' LYS . . . . . 0.517 ' HD3' ' CE1' ' C' ' 71' ' ' PHE . 3.9 ttpp -54.48 -69.19 0.13 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.128 0.49 . . . . 13.53 110.203 179.249 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 76' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -62.2 -32.28 72.9 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.646 -0.706 . . . . 16.94 110.936 179.675 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 77' ' ' LEU . . . . . 0.741 ' O ' HD12 ' C' ' 77' ' ' LEU . 0.7 OUTLIER -62.0 -52.56 63.5 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.452 -0.34 . . . . 21.06 110.376 179.905 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' C' C ' 78' ' ' TYR . . . . . 0.612 ' CD1' HD11 ' B' ' 77' ' ' LEU . 20.7 m-85 -65.59 -19.78 66.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.324 -0.398 . . . . 24.45 110.691 179.511 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 5.8 ttmm -74.65 -27.49 60.45 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.319 -0.4 . . . . 26.93 110.621 179.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.65 -28.38 63.72 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.196 -0.457 . . . . 27.36 110.929 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.086 -0.506 . . . . 33.63 110.923 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 3.9 p30 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.843 0.354 . . . . 35.65 110.953 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' D' D ' 55' ' ' ALA . . . . . . . . . . . . . . . -54.97 -29.16 56.25 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.064 -0.517 . . . . 30.7 111.013 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -73.8 -54.42 8.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.473 . . . . 30.84 110.866 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 57' ' ' ARG . . . . . . . . . . . . . 5.7 mtm-85 -53.18 -43.2 66.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 27.19 110.907 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 58' ' ' LEU . . . . . 0.906 HD22 HG23 ' B' ' 73' ' ' THR . 81.4 mt -59.47 -59.23 5.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.085 -0.507 . . . . 22.07 110.751 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 59' ' ' ALA . . . . . . . . . . . . . . . -49.27 -30.88 7.9 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.967 -0.56 . . . . 19.3 110.987 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 60' ' ' ASP . . . . . . . . . . . . . 39.7 t0 -71.86 -62.29 1.47 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.083 -0.508 . . . . 16.85 110.738 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 61' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -57.24 -37.73 72.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 11.04 110.555 179.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 62' ' ' GLN . . . . . 0.453 ' HB3' ' CD1' ' C' ' 74' ' ' LEU . 0.0 OUTLIER -71.05 -42.01 70.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.004 -0.544 . . . . 11.06 110.764 179.676 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' D' D ' 63' ' ' SER . . . . . . . . . . . . . 80.8 p -68.64 -56.19 9.02 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.204 -0.453 . . . . 16.62 110.722 179.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 64' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -50.06 -30.69 11.35 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.966 0.413 . . . . 15.38 110.584 179.687 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.9 -44.11 86.25 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.937 -0.574 . . . . 9.73 110.552 179.731 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 66' ' ' VAL . . . . . 0.443 HG23 ' O ' ' D' ' 62' ' ' GLN . 13.7 t -61.01 -33.36 55.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.12 -0.491 . . . . 8.75 110.918 179.724 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 67' ' ' LYS . . . . . . . . . . . . . 4.8 ttmt -61.36 -62.88 1.52 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 14.63 110.66 179.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 68' ' ' LYS . . . . . . . . . . . . . 18.0 mttt -55.2 -27.2 44.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 8.0 110.548 179.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 69' ' ' MET . . . . . 0.438 ' HE2' ' HB3' ' D' ' 69' ' ' MET . 29.2 ttp -74.93 -52.37 11.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.028 -0.533 . . . . 10.89 110.554 179.724 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 70' ' ' VAL . . . . . 0.434 HG23 ' O ' ' D' ' 66' ' ' VAL . 58.1 t -73.48 -23.06 19.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 10.93 110.907 179.789 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -66.0 -45.62 80.89 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.967 0.413 . . . . 18.23 110.466 179.557 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -63.62 -41.53 98.27 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.991 -0.55 . . . . 23.99 110.484 179.67 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 73' ' ' THR . . . . . 0.898 HG23 HD22 ' B' ' 58' ' ' LEU . 68.0 m -60.68 -57.62 11.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.1 -0.5 . . . . 23.14 110.815 179.8 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 74' ' ' LEU . . . . . 0.61 ' HA ' HD12 ' D' ' 77' ' ' LEU . 30.4 mt -50.74 -42.97 58.05 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.217 -0.447 . . . . 27.17 110.759 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 75' ' ' LYS . . . . . . . . . . . . . 19.2 tttt -50.93 -42.35 59.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 29.69 110.567 179.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 76' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -77.94 -30.49 50.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.007 -0.542 . . . . 28.84 110.539 179.594 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 77' ' ' LEU . . . . . 0.61 HD12 ' HA ' ' D' ' 74' ' ' LEU . 46.1 mt -63.7 -46.93 83.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.921 -0.581 . . . . 28.56 110.592 179.612 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 78' ' ' TYR . . . . . 0.736 ' HB3' ' HB1' ' C' ' 55' ' ' ALA . 5.7 m-85 -79.01 -39.05 35.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.938 -0.574 . . . . 34.43 110.729 179.741 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 79' ' ' LYS . . . . . . . . . . . . . 3.7 ttmm . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 42.61 110.81 179.895 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.415 ' O ' ' CB ' ' A' ' 59' ' ' ALA . . . . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.796 0.331 . . . . 30.45 110.798 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -66.9 -54.55 21.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 27.84 110.503 179.584 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.435 ' HG3' ' N ' ' A' ' 58' ' ' LEU . 6.2 ptp180 -68.65 -41.9 78.71 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.858 -0.61 . . . . 28.68 110.34 179.516 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.635 ' C ' HD13 ' A' ' 58' ' ' LEU . 2.2 tm? -62.84 -48.75 77.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.823 -0.626 . . . . 28.77 110.441 179.5 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.415 ' CB ' ' O ' ' A' ' 55' ' ' ALA . . . -58.4 -36.78 74.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.022 -0.535 . . . . 25.37 110.882 179.767 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -53.59 -51.36 63.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.429 . . . . 26.75 110.51 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.45 -39.8 92.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.042 -0.527 . . . . 27.48 110.65 179.752 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.449 ' HB2' ' CD1' ' B' ' 74' ' ' LEU . 77.9 mm-40 -59.16 -60.09 4.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.014 -0.539 . . . . 19.6 110.689 179.715 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 9.8 p -58.33 -30.03 66.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 16.14 110.552 179.729 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -59.27 -55.52 33.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.046 -0.525 . . . . 18.6 110.54 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 8.3 mt -54.3 -40.45 67.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.101 -0.499 . . . . 17.18 110.412 179.567 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 53.6 t -64.62 -50.62 74.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.027 -0.533 . . . . 9.99 110.8 179.564 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 24.3 tttt -59.06 -47.32 85.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.024 -0.534 . . . . 17.96 110.529 179.666 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 22.3 ttpt -58.62 -37.75 76.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.084 -0.507 . . . . 21.67 110.637 179.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.401 ' HE2' HG21 ' C' ' 73' ' ' THR . 29.6 ttp -64.43 -38.58 91.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.09 -0.505 . . . . 8.46 110.505 179.656 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.416 HG13 ' HG ' ' A' ' 74' ' ' LEU . 73.7 t -74.37 -40.89 50.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.945 -0.571 . . . . 5.99 110.966 179.784 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.508 ' CZ ' ' HD3' ' A' ' 75' ' ' LYS . 15.6 t80 -51.78 -64.24 0.88 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.462 -0.336 . . . . 16.49 110.622 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -51.1 -40.78 59.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.901 0.382 . . . . 10.49 110.611 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.413 HG21 ' HE2' ' C' ' 69' ' ' MET . 21.5 m -65.58 -71.11 0.2 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.071 -0.513 . . . . 12.55 110.314 179.617 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.46 ' CD1' ' HB3' ' B' ' 62' ' ' GLN . 18.2 mt -51.79 -34.61 40.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.091 -0.504 . . . . 19.16 111.06 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.508 ' HD3' ' CZ ' ' A' ' 71' ' ' PHE . 6.1 tttp -55.55 -64.28 0.9 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.112 0.482 . . . . 22.38 110.102 179.513 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -66.66 -35.77 80.94 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.677 -0.692 . . . . 16.75 110.776 179.684 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.567 ' O ' HD12 ' A' ' 77' ' ' LEU . 1.2 tp -61.23 -59.07 5.88 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.228 -0.442 . . . . 20.08 110.715 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.483 ' OH ' HG13 ' D' ' 70' ' ' VAL . 21.9 m-30 -59.91 -28.89 67.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.292 -0.413 . . . . 26.73 110.668 179.727 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 25.6 mttt -68.08 -28.46 67.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 28.08 110.623 179.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 4.9 tttt -65.27 -46.79 79.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.486 . . . . 31.57 110.914 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.719 ' OG1' HD22 ' D' ' 77' ' ' LEU . 78.1 p . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 116.012 -0.54 . . . . 35.0 110.994 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.732 0.301 . . . . 32.8 110.824 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.28 -45.17 80.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 32.16 111.133 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -61.33 -47.44 85.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 29.71 110.88 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 10.1 mmm180 -59.34 -40.5 86.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 22.63 110.83 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . 0.805 HD13 ' CG2' ' D' ' 73' ' ' THR . 91.9 mt -61.43 -57.33 12.64 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.994 -0.548 . . . . 17.87 110.945 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -47.69 -31.5 4.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.018 -0.537 . . . . 18.73 111.1 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -76.35 -53.74 7.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.07 -0.513 . . . . 23.01 110.761 179.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -60.56 -34.16 73.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 16.52 110.719 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . 0.653 ' O ' HG23 ' B' ' 66' ' ' VAL . 0.1 OUTLIER -77.07 -45.69 26.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 15.13 110.943 179.864 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 72.1 p -62.35 -52.52 63.29 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.319 -0.4 . . . . 12.84 110.623 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -54.15 -37.71 64.72 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.143 -0.48 . . . . 7.93 110.594 179.677 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.48 -41.59 97.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.048 -0.524 . . . . 5.59 110.69 179.774 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . 0.653 HG23 ' O ' ' B' ' 62' ' ' GLN . 3.5 t -62.23 -38.26 80.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.278 -0.419 . . . . 6.46 111.095 179.79 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 1.9 ttpm? -57.19 -60.24 3.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.091 -0.504 . . . . 15.23 110.846 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 2.3 mtmp? -53.16 -34.44 56.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 16.26 110.824 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 69' ' ' MET . . . . . . . . . . . . . 24.6 ttp -67.16 -49.28 65.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 12.87 110.78 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.417 HG13 ' OH ' ' C' ' 78' ' ' TYR . 86.7 t -74.09 -27.72 22.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.047 -0.524 . . . . 15.25 111.029 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 37.1 t80 -63.12 -42.41 99.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.297 -0.41 . . . . 24.86 110.655 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -64.42 -51.76 61.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.091 -0.504 . . . . 27.28 110.749 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 73' ' ' THR . . . . . 0.83 ' CG2' HD13 ' D' ' 58' ' ' LEU . 55.3 m -55.66 -49.51 72.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 21.58 110.906 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 74' ' ' LEU . . . . . 0.704 HD23 HD12 ' B' ' 77' ' ' LEU . 19.2 mt -56.15 -43.9 78.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 20.69 110.959 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 3.0 ttpt -49.83 -44.71 49.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.343 -0.39 . . . . 26.87 110.793 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -74.13 -36.56 64.19 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.015 -0.539 . . . . 30.29 110.512 179.69 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.808 HD22 ' OG1' ' C' ' 81' ' ' THR . 11.3 mt -55.15 -47.62 74.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.008 -0.542 . . . . 30.32 110.748 179.743 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 78' ' ' TYR . . . . . 0.518 ' CE1' HD12 ' A' ' 58' ' ' LEU . 2.5 m-85 -74.57 -45.98 41.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.02 -0.536 . . . . 31.83 111.027 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 4.0 mtmt . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.293 -0.412 . . . . 40.26 110.772 179.928 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' C' C ' 55' ' ' ALA . . . . . 0.411 ' O ' ' CB ' ' C' ' 59' ' ' ALA . . . . . . . . 0 N--CA 1.456 -0.143 0 CA-C-O 120.886 0.374 . . . . 33.9 110.809 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -66.96 -54.49 21.44 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.11 -0.496 . . . . 29.45 110.452 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 57' ' ' ARG . . . . . 0.446 ' HG3' ' N ' ' C' ' 58' ' ' LEU . 6.3 ptp180 -68.71 -41.8 78.6 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.939 -0.573 . . . . 37.99 110.359 179.534 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 58' ' ' LEU . . . . . 0.633 HD13 ' C ' ' C' ' 58' ' ' LEU . 2.2 tm? -62.89 -48.66 78.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.699 -0.682 . . . . 26.03 110.473 179.491 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 59' ' ' ALA . . . . . 0.411 ' CB ' ' O ' ' C' ' 55' ' ' ALA . . . -58.36 -37.0 74.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.021 -0.536 . . . . 20.59 110.883 179.752 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -53.57 -51.2 63.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.074 -0.512 . . . . 19.52 110.567 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.54 -39.7 92.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.125 -0.489 . . . . 21.57 110.635 179.764 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 62' ' ' GLN . . . . . 0.439 ' HB2' ' CD1' ' D' ' 74' ' ' LEU . 78.8 mm-40 -59.24 -60.01 4.55 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.039 -0.528 . . . . 24.1 110.727 179.761 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 63' ' ' SER . . . . . . . . . . . . . 10.5 p -58.41 -30.14 66.63 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.125 -0.489 . . . . 17.37 110.496 179.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -59.03 -55.65 32.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.061 -0.518 . . . . 25.68 110.568 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 65' ' ' LEU . . . . . . . . . . . . . 8.3 mt -54.32 -40.27 67.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.146 -0.479 . . . . 18.25 110.441 179.608 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 66' ' ' VAL . . . . . . . . . . . . . 54.1 t -64.87 -50.48 74.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.095 -0.502 . . . . 14.93 110.724 179.56 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 67' ' ' LYS . . . . . . . . . . . . . 24.3 tttt -59.14 -47.36 85.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.068 -0.514 . . . . 9.34 110.507 179.677 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 68' ' ' LYS . . . . . . . . . . . . . 22.4 ttpt -58.53 -38.04 76.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 13.45 110.575 179.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 69' ' ' MET . . . . . 0.413 ' HE2' HG21 ' A' ' 73' ' ' THR . 29.7 ttp -64.14 -38.46 91.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 7.92 110.57 179.647 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 70' ' ' VAL . . . . . 0.418 HG13 ' HG ' ' C' ' 74' ' ' LEU . 72.7 t -74.64 -40.86 48.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.994 -0.548 . . . . 9.42 110.96 179.799 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 71' ' ' PHE . . . . . 0.504 ' CZ ' ' HD3' ' C' ' 75' ' ' LYS . 15.6 t80 -51.69 -64.44 0.81 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.403 -0.362 . . . . 13.24 110.695 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -50.92 -40.81 58.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.866 0.365 . . . . 13.07 110.576 179.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 73' ' ' THR . . . . . 0.401 HG21 ' HE2' ' A' ' 69' ' ' MET . 21.7 m -65.6 -71.09 0.2 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 11.48 110.347 179.644 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 74' ' ' LEU . . . . . 0.458 ' CD1' ' HB3' ' D' ' 62' ' ' GLN . 18.0 mt -51.77 -34.65 40.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 13.35 111.048 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 75' ' ' LYS . . . . . 0.504 ' HD3' ' CZ ' ' C' ' 71' ' ' PHE . 6.1 tttp -55.6 -63.93 1.01 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.222 -0.444 . . . . 14.0 110.191 179.532 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 76' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -67.07 -35.32 79.58 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.643 -0.708 . . . . 17.63 110.859 179.667 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 77' ' ' LEU . . . . . 0.56 ' O ' HD12 ' C' ' 77' ' ' LEU . 1.3 tp -61.51 -58.88 6.38 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.26 -0.427 . . . . 21.34 110.736 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 78' ' ' TYR . . . . . 0.417 ' OH ' HG13 ' B' ' 70' ' ' VAL . 21.9 m-30 -60.16 -29.01 68.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 25.35 110.621 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 25.8 mttt -67.9 -28.4 67.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 25.96 110.679 179.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 4.8 tttt -65.34 -46.64 79.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.074 -0.512 . . . . 27.99 110.936 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 81' ' ' THR . . . . . 0.808 ' OG1' HD22 ' B' ' 77' ' ' LEU . 74.8 p . . . . . 0 C--N 1.327 -0.392 0 CA-C-N 116.057 -0.519 . . . . 33.05 110.953 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.817 0.341 . . . . 33.32 110.837 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' D' D ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.37 -45.26 80.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 30.06 111.144 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -61.19 -47.69 84.97 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.243 -0.435 . . . . 31.24 110.836 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 57' ' ' ARG . . . . . . . . . . . . . 10.1 mmm180 -59.1 -40.55 85.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 25.79 110.815 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 58' ' ' LEU . . . . . 0.83 HD13 ' CG2' ' B' ' 73' ' ' THR . 91.6 mt -61.5 -57.2 13.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.062 -0.517 . . . . 22.37 110.923 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 59' ' ' ALA . . . . . . . . . . . . . . . -47.76 -31.46 4.86 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.968 -0.56 . . . . 19.96 111.091 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 60' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -76.41 -53.61 7.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.997 -0.547 . . . . 17.27 110.723 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 61' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -60.49 -34.31 73.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.098 -0.501 . . . . 11.57 110.767 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 62' ' ' GLN . . . . . 0.654 ' O ' HG23 ' D' ' 66' ' ' VAL . 0.1 OUTLIER -76.99 -45.63 26.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 10.91 110.927 179.867 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' D' D ' 63' ' ' SER . . . . . . . . . . . . . 72.4 p -62.52 -52.52 63.13 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.361 -0.382 . . . . 16.67 110.666 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 64' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -54.2 -37.78 64.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 15.23 110.62 179.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 65' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.43 -41.69 97.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.006 -0.543 . . . . 9.91 110.679 179.753 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 66' ' ' VAL . . . . . 0.654 HG23 ' O ' ' D' ' 62' ' ' GLN . 3.4 t -62.17 -38.31 80.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.253 -0.43 . . . . 8.04 111.066 179.82 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 67' ' ' LYS . . . . . . . . . . . . . 1.9 ttpm? -57.16 -59.91 4.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.086 -0.506 . . . . 13.51 110.866 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 68' ' ' LYS . . . . . . . . . . . . . 2.3 mtmp? -53.44 -34.48 58.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 8.41 110.808 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 69' ' ' MET . . . . . . . . . . . . . 24.9 ttp -67.06 -49.41 65.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 11.02 110.722 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 70' ' ' VAL . . . . . 0.483 HG13 ' OH ' ' A' ' 78' ' ' TYR . 92.1 t -73.83 -27.9 23.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.006 -0.543 . . . . 10.91 111.107 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 36.9 t80 -63.05 -42.36 99.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.279 -0.419 . . . . 18.27 110.722 179.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -64.53 -51.54 62.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 23.84 110.784 179.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 73' ' ' THR . . . . . 0.805 ' CG2' HD13 ' B' ' 58' ' ' LEU . 53.6 m -55.77 -49.62 72.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 24.02 110.887 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 74' ' ' LEU . . . . . 0.725 HD23 HD12 ' D' ' 77' ' ' LEU . 19.4 mt -56.06 -43.9 78.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 27.43 110.94 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 75' ' ' LYS . . . . . . . . . . . . . 3.0 ttpt -49.79 -44.89 49.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.286 -0.415 . . . . 28.82 110.777 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 76' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -73.92 -36.66 64.72 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.013 -0.54 . . . . 28.92 110.479 179.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 77' ' ' LEU . . . . . 0.725 HD12 HD23 ' D' ' 74' ' ' LEU . 11.5 mt -54.97 -47.89 73.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.055 -0.521 . . . . 29.08 110.809 179.712 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 78' ' ' TYR . . . . . 0.513 ' CE1' HD12 ' C' ' 58' ' ' LEU . 2.6 m-85 -74.29 -46.24 42.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.965 -0.562 . . . . 34.59 111.005 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 79' ' ' LYS . . . . . . . . . . . . . 4.0 mtmt . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.306 -0.406 . . . . 43.8 110.855 179.907 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.538 ' HB1' ' CB ' ' B' ' 78' ' ' TYR . . . . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.805 0.336 . . . . 35.47 110.625 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -67.62 -52.76 34.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 30.52 110.283 179.56 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 3.6 ttp180 -59.46 -45.95 90.16 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.819 -0.628 . . . . 39.07 110.28 179.507 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.449 HD23 ' HA ' ' A' ' 58' ' ' LEU . 18.5 mt -55.43 -45.01 76.79 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.811 -0.631 . . . . 29.19 110.494 179.615 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.638 ' HA ' HD13 ' B' ' 74' ' ' LEU . . . -52.2 -39.7 60.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.049 -0.523 . . . . 20.98 110.813 179.776 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -68.65 -36.31 78.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 18.44 110.668 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.45 -52.19 54.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.122 -0.49 . . . . 20.56 110.789 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.778 ' HA ' HD12 ' A' ' 65' ' ' LEU . 26.6 mm-40 -57.87 -47.06 83.84 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.075 -0.511 . . . . 23.56 110.373 179.688 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 7.3 p -56.64 -35.79 68.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.019 -0.537 . . . . 18.45 110.664 179.689 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -63.42 -37.75 88.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.085 -0.507 . . . . 26.83 110.798 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.778 HD12 ' HA ' ' A' ' 62' ' ' GLN . 7.0 mt -67.31 -35.35 79.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.491 . . . . 19.37 110.581 179.786 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.511 ' O ' HG23 ' A' ' 70' ' ' VAL . 60.5 t -80.65 -33.46 13.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.125 -0.489 . . . . 15.06 111.053 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.3 tttt -76.49 -30.55 57.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 8.72 110.523 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.427 ' HG3' ' N ' ' A' ' 69' ' ' MET . 0.4 OUTLIER -75.82 -39.75 56.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.063 -0.517 . . . . 13.95 110.437 179.569 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.427 ' N ' ' HG3' ' A' ' 68' ' ' LYS . 13.9 ptt? -66.56 -32.2 73.39 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.092 -0.504 . . . . 8.89 110.732 179.769 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 66' ' ' VAL . 53.5 t -73.65 -44.13 53.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.078 -0.51 . . . . 9.21 110.756 179.649 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.427 ' O ' ' CB ' ' A' ' 75' ' ' LYS . 10.7 t80 -50.72 -58.0 6.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.428 -0.351 . . . . 16.12 110.61 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -51.84 -44.27 63.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.369 -0.378 . . . . 14.36 110.467 179.648 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.418 HG21 ' HE1' ' C' ' 69' ' ' MET . 18.8 m -64.88 -70.44 0.23 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.032 -0.531 . . . . 10.0 110.441 179.557 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.472 ' CD1' ' HB3' ' B' ' 62' ' ' GLN . 14.4 mt -50.05 -36.7 30.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.463 . . . . 12.84 111.053 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.427 ' CB ' ' O ' ' A' ' 71' ' ' PHE . 3.5 tttp -54.63 -69.15 0.14 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.095 -0.502 . . . . 15.06 110.28 179.528 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.33 -30.69 71.35 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.715 -0.675 . . . . 18.22 110.831 179.611 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.596 ' C ' HD12 ' A' ' 77' ' ' LEU . 0.9 OUTLIER -64.68 -65.66 0.65 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.383 -0.371 . . . . 21.31 110.747 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.677 ' OH ' HG13 ' D' ' 70' ' ' VAL . 18.6 m-85 -54.73 -22.63 14.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.439 -0.346 . . . . 26.75 110.891 179.808 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 3.9 tppt? -70.57 -34.64 72.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.365 -0.379 . . . . 25.68 110.84 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 13.1 tttt -72.04 -32.45 67.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 29.16 110.89 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.439 ' OG1' HD13 ' D' ' 77' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.485 . . . . 33.8 110.894 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.75 0.309 . . . . 32.54 110.989 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -53.43 -31.65 46.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.314 -0.403 . . . . 29.37 111.189 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -80.82 -41.23 23.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.448 . . . . 33.7 110.984 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 26.3 mtt180 -62.59 -31.59 72.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.446 . . . . 25.19 111.077 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . 0.962 HD13 ' CG2' ' D' ' 73' ' ' THR . 60.1 mt -74.11 -50.1 20.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 22.07 111.059 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.88 -40.33 60.46 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.163 -0.472 . . . . 20.46 111.108 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.34 -55.59 7.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.092 -0.504 . . . . 21.82 111.025 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -56.73 -42.17 78.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 12.58 110.936 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . 0.474 ' O ' HG23 ' B' ' 66' ' ' VAL . 0.0 OUTLIER -67.84 -39.91 83.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.19 -0.459 . . . . 10.6 111.222 -179.81 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 2.8 p -65.76 -57.18 8.59 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.487 -0.324 . . . . 16.38 110.909 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . 0.422 ' HG3' ' N ' ' B' ' 65' ' ' LEU . 8.1 pt-20 -48.47 -32.97 8.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.315 -0.402 . . . . 17.31 110.935 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . 0.422 ' N ' ' HG3' ' B' ' 64' ' ' GLU . 0.0 OUTLIER -65.96 -44.99 83.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.04 -0.527 . . . . 10.47 110.624 179.841 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . 0.474 HG23 ' O ' ' B' ' 62' ' ' GLN . 19.8 t -57.73 -37.49 59.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.31 -0.404 . . . . 8.1 110.766 179.765 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 75.1 tttt -60.12 -55.5 33.09 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.004 -0.544 . . . . 11.28 110.698 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 23.9 mttt -56.44 -32.53 64.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 9.65 110.721 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 69' ' ' MET . . . . . . . . . . . . . 41.1 ttp -71.22 -50.92 27.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 11.23 110.784 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.777 HG13 ' OH ' ' C' ' 78' ' ' TYR . 60.8 t -75.08 -22.3 16.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 10.96 111.15 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -63.29 -46.38 87.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.871 0.367 . . . . 17.88 110.54 179.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.47 -46.11 77.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.116 -0.493 . . . . 24.38 110.586 179.762 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 73' ' ' THR . . . . . 0.938 ' CG2' HD13 ' D' ' 58' ' ' LEU . 87.1 m -52.07 -53.13 45.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.093 -0.503 . . . . 24.73 110.856 179.804 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 74' ' ' LEU . . . . . 0.638 HD13 ' HA ' ' A' ' 59' ' ' ALA . 46.5 mt -54.3 -42.68 70.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 27.14 111.088 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.96 -46.95 52.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.32 -0.4 . . . . 27.78 110.844 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 76' ' ' ASP . . . . . 0.441 ' HA ' ' CG ' ' B' ' 79' ' ' LYS . 63.3 m-20 -72.31 -30.52 64.86 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.946 -0.57 . . . . 28.23 110.677 179.626 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.628 HD12 HD23 ' B' ' 74' ' ' LEU . 20.1 mt -65.56 -37.38 86.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.929 -0.578 . . . . 28.69 110.966 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 78' ' ' TYR . . . . . 0.538 ' CB ' ' HB1' ' A' ' 55' ' ' ALA . 15.4 m-85 -84.97 -61.34 1.8 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.446 . . . . 33.95 111.164 -179.688 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 79' ' ' LYS . . . . . 0.441 ' CG ' ' HA ' ' B' ' 76' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.207 -0.451 . . . . 43.51 111.285 -179.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 55' ' ' ALA . . . . . 0.546 ' HB1' ' CB ' ' D' ' 78' ' ' TYR . . . . . . . . 0 N--CA 1.457 -0.125 0 CA-C-O 120.892 0.377 . . . . 30.66 110.71 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -67.72 -52.6 35.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 27.05 110.435 179.476 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 57' ' ' ARG . . . . . . . . . . . . . 3.6 ttp180 -59.56 -46.19 89.63 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.86 -0.609 . . . . 26.36 110.242 179.474 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 58' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' C' ' 58' ' ' LEU . 18.7 mt -54.98 -45.25 74.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.718 -0.674 . . . . 27.49 110.552 179.595 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 59' ' ' ALA . . . . . 0.669 ' HA ' HD13 ' D' ' 74' ' ' LEU . . . -52.08 -39.67 60.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.988 -0.551 . . . . 24.33 110.851 179.74 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -68.66 -36.35 78.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 26.42 110.658 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.33 -52.25 55.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.069 -0.514 . . . . 27.2 110.817 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 62' ' ' GLN . . . . . 0.767 ' HA ' HD12 ' C' ' 65' ' ' LEU . 26.6 mm-40 -57.83 -47.07 83.7 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.025 -0.534 . . . . 20.02 110.483 179.7 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 63' ' ' SER . . . . . . . . . . . . . 8.4 p -56.6 -35.87 68.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.937 -0.574 . . . . 16.01 110.616 179.656 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -63.48 -37.68 88.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.484 . . . . 18.86 110.699 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 65' ' ' LEU . . . . . 0.767 HD12 ' HA ' ' C' ' 62' ' ' GLN . 6.9 mt -67.26 -35.47 79.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 15.99 110.552 179.806 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 66' ' ' VAL . . . . . 0.509 ' O ' HG23 ' C' ' 70' ' ' VAL . 61.0 t -80.5 -33.46 13.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.066 -0.516 . . . . 9.98 111.047 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 67' ' ' LYS . . . . . 0.422 ' HG2' ' HB2' ' D' ' 63' ' ' SER . 4.3 tttt -76.31 -30.95 57.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 19.05 110.531 179.724 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 68' ' ' LYS . . . . . 0.422 ' HG3' ' N ' ' C' ' 69' ' ' MET . 0.4 OUTLIER -75.46 -39.92 58.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 19.23 110.38 179.585 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' C' C ' 69' ' ' MET . . . . . 0.422 ' N ' ' HG3' ' C' ' 68' ' ' LYS . 14.2 ptt? -66.5 -32.03 73.13 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.466 . . . . 8.38 110.733 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 70' ' ' VAL . . . . . 0.509 HG23 ' O ' ' C' ' 66' ' ' VAL . 51.7 t -73.83 -43.79 52.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 4.75 110.743 179.741 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 71' ' ' PHE . . . . . 0.438 ' O ' ' CB ' ' C' ' 75' ' ' LYS . 10.8 t80 -51.06 -57.86 7.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.408 -0.36 . . . . 13.88 110.702 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -51.9 -44.37 63.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.869 0.366 . . . . 7.62 110.417 179.654 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 73' ' ' THR . . . . . . . . . . . . . 19.1 m -64.84 -70.58 0.22 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.018 -0.537 . . . . 13.33 110.342 179.61 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 74' ' ' LEU . . . . . 0.464 ' CD1' ' HB3' ' D' ' 62' ' ' GLN . 14.4 mt -49.8 -36.87 27.82 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.24 -0.436 . . . . 19.03 111.052 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 75' ' ' LYS . . . . . 0.438 ' CB ' ' O ' ' C' ' 71' ' ' PHE . 3.5 tttp -54.48 -69.2 0.13 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.045 -0.525 . . . . 22.38 110.301 179.514 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 76' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.4 -30.61 71.33 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.757 -0.656 . . . . 15.44 110.887 179.677 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 77' ' ' LEU . . . . . 0.605 HD12 ' C ' ' C' ' 77' ' ' LEU . 0.8 OUTLIER -64.71 -65.44 0.67 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.317 -0.401 . . . . 19.58 110.699 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' C' C ' 78' ' ' TYR . . . . . 0.777 ' OH ' HG13 ' B' ' 70' ' ' VAL . 18.6 m-85 -54.81 -23.0 16.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 25.9 110.926 179.761 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 3.9 tppt? -70.29 -34.73 73.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.29 -0.414 . . . . 28.12 110.898 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 13.1 tttt -71.97 -32.58 67.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 30.12 110.931 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 34.13 110.886 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.822 0.344 . . . . 33.45 110.971 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' D' D ' 55' ' ' ALA . . . . . . . . . . . . . . . -53.37 -31.59 45.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 33.34 111.173 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -80.79 -41.36 23.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.431 . . . . 30.51 110.992 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 57' ' ' ARG . . . . . . . . . . . . . 25.6 mtt180 -62.45 -31.62 72.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.23 -0.441 . . . . 26.02 111.199 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 58' ' ' LEU . . . . . 0.938 HD13 ' CG2' ' B' ' 73' ' ' THR . 60.2 mt -74.05 -50.23 20.62 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.319 -0.401 . . . . 18.2 110.992 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.73 -40.32 60.02 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.138 -0.483 . . . . 18.37 111.021 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.5 -55.67 7.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.481 . . . . 23.47 110.895 -179.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 61' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -56.57 -42.31 78.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.094 -0.503 . . . . 16.22 110.971 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 62' ' ' GLN . . . . . 0.467 ' O ' HG23 ' D' ' 66' ' ' VAL . 0.0 OUTLIER -67.68 -40.03 84.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 15.11 111.264 -179.862 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' D' D ' 63' ' ' SER . . . . . 0.422 ' HB2' ' HG2' ' C' ' 67' ' ' LYS . 2.9 p -65.55 -57.14 8.91 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.769 0.318 . . . . 12.98 110.982 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 64' ' ' GLU . . . . . 0.411 ' HG3' ' N ' ' D' ' 65' ' ' LEU . 8.1 pt-20 -48.64 -33.09 9.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.34 -0.391 . . . . 9.98 110.832 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 65' ' ' LEU . . . . . 0.411 ' N ' ' HG3' ' D' ' 64' ' ' GLU . 0.0 OUTLIER -65.69 -45.3 83.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.034 -0.53 . . . . 5.58 110.651 179.765 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' D' D ' 66' ' ' VAL . . . . . 0.467 HG23 ' O ' ' D' ' 62' ' ' GLN . 20.8 t -57.64 -36.95 56.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.294 -0.412 . . . . 7.02 110.853 179.781 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 67' ' ' LYS . . . . . . . . . . . . . 74.5 tttt -60.66 -55.4 33.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.004 -0.544 . . . . 18.98 110.786 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 68' ' ' LYS . . . . . . . . . . . . . 23.8 mttt -56.37 -32.66 64.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 15.51 110.729 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 69' ' ' MET . . . . . . . . . . . . . 40.1 ttp -71.1 -51.14 26.81 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.094 -0.503 . . . . 12.87 110.803 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 70' ' ' VAL . . . . . 0.677 HG13 ' OH ' ' A' ' 78' ' ' TYR . 59.4 t -74.88 -22.24 17.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 15.45 111.132 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -63.33 -46.11 88.18 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.296 -0.411 . . . . 24.87 110.705 179.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -66.78 -45.86 77.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.072 -0.513 . . . . 28.33 110.582 179.722 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 73' ' ' THR . . . . . 0.962 ' CG2' HD13 ' B' ' 58' ' ' LEU . 85.9 m -52.2 -52.95 49.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 20.81 110.869 179.823 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 74' ' ' LEU . . . . . 0.669 HD13 ' HA ' ' C' ' 59' ' ' ALA . 47.8 mt -54.43 -42.95 71.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.484 . . . . 21.56 111.119 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.57 -46.84 49.43 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.323 -0.399 . . . . 28.3 110.842 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 76' ' ' ASP . . . . . 0.438 ' HA ' ' CG ' ' D' ' 79' ' ' LYS . 63.4 m-20 -72.47 -30.31 64.44 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.006 -0.543 . . . . 30.97 110.682 179.642 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 77' ' ' LEU . . . . . 0.634 HD12 HD23 ' D' ' 74' ' ' LEU . 20.0 mt -65.91 -37.31 85.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.94 -0.573 . . . . 30.41 110.931 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 78' ' ' TYR . . . . . 0.546 ' CB ' ' HB1' ' C' ' 55' ' ' ALA . 15.2 m-85 -84.96 -61.18 1.84 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 33.05 111.176 -179.782 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 79' ' ' LYS . . . . . 0.438 ' CG ' ' HA ' ' D' ' 76' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.246 0 CA-C-N 116.183 -0.462 . . . . 39.45 111.351 -179.816 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.171 0 CA-C-O 120.834 0.35 . . . . 34.48 110.843 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -73.02 -52.47 14.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.065 -0.516 . . . . 29.7 110.405 179.642 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.409 ' NH1' ' HB3' ' A' ' 57' ' ' ARG . 8.3 mtm105 -63.39 -39.14 93.71 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.936 -0.574 . . . . 37.02 110.373 179.525 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.406 ' HA ' HD23 ' A' ' 58' ' ' LEU . 11.9 mt -59.93 -51.37 69.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.906 -0.588 . . . . 27.06 110.638 179.528 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -50.18 -36.02 28.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.1 -0.5 . . . . 20.04 110.885 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -67.99 -29.85 68.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.081 -0.509 . . . . 18.99 110.624 179.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -74.88 -50.73 15.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.058 -0.519 . . . . 21.26 110.771 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.571 ' HB2' HD13 ' B' ' 74' ' ' LEU . 64.7 mm-40 -53.89 -53.99 44.92 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.93 -0.577 . . . . 24.21 110.755 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.2 m -58.42 -39.0 78.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 16.7 110.622 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.402 ' O ' ' HG2' ' A' ' 67' ' ' LYS . 0.7 OUTLIER -56.53 -26.82 55.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 26.35 110.523 179.791 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.9 mt -79.83 -32.31 40.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 18.08 110.462 179.712 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.4 ' O ' HG23 ' A' ' 70' ' ' VAL . 21.4 t -78.84 -38.03 20.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.857 -0.61 . . . . 14.92 110.947 179.833 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.421 ' HG3' ' N ' ' A' ' 68' ' ' LYS . 2.1 ptmm? -62.7 -46.71 86.87 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.228 -0.442 . . . . 10.66 110.644 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.421 ' N ' ' HG3' ' A' ' 67' ' ' LYS . 1.6 mppt? -60.1 -42.51 94.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 12.19 110.446 179.575 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 24.2 ttp -59.45 -37.89 79.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.033 -0.53 . . . . 8.06 110.449 179.576 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 66' ' ' VAL . 77.2 t -73.78 -42.51 54.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.01 -0.541 . . . . 9.41 110.76 179.673 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.434 ' O ' ' CB ' ' A' ' 75' ' ' LYS . 39.1 t80 -52.03 -59.76 3.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.424 -0.353 . . . . 14.24 110.44 179.771 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -53.53 -44.15 68.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.919 0.39 . . . . 12.8 110.377 179.698 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 20.0 m -63.6 -70.24 0.23 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.096 -0.502 . . . . 11.47 110.167 179.499 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.463 ' CD1' ' HB3' ' B' ' 62' ' ' GLN . 14.5 mt -50.25 -36.3 30.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.064 -0.516 . . . . 13.53 110.861 179.728 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.434 ' CB ' ' O ' ' A' ' 71' ' ' PHE . 17.4 ttpp -54.95 -69.32 0.13 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.107 0.48 . . . . 14.16 110.118 179.572 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.32 -31.03 71.6 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.684 -0.689 . . . . 17.68 110.716 179.656 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.598 ' C ' HD12 ' A' ' 77' ' ' LEU . 0.8 OUTLIER -64.06 -63.39 1.16 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.407 -0.361 . . . . 21.43 110.541 179.881 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.618 ' OH ' HG13 ' D' ' 70' ' ' VAL . 22.1 m-30 -55.34 -32.13 62.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.288 -0.415 . . . . 25.6 110.578 179.651 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.3 tptm -65.26 -28.95 69.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.097 -0.501 . . . . 27.28 110.527 179.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.61 -37.84 85.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.03 -0.532 . . . . 28.06 110.721 179.831 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 21.9 p . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 115.912 -0.585 . . . . 33.22 110.908 179.881 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 12.6 t0 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.752 0.31 . . . . 33.5 110.945 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.74 -49.44 76.57 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.266 -0.424 . . . . 30.08 111.131 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -58.56 -46.47 86.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 33.24 110.849 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 74.2 mtt180 -60.96 -33.5 73.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 28.67 110.656 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . 0.651 HD13 ' CG2' ' D' ' 73' ' ' THR . 61.7 mt -70.18 -54.51 12.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.088 -0.505 . . . . 22.49 110.87 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.25 -30.53 17.95 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.914 -0.584 . . . . 19.89 111.153 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -71.3 -62.74 1.29 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 18.13 110.962 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -56.62 -36.07 69.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.299 -0.41 . . . . 11.6 110.684 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . 0.511 ' O ' HG23 ' B' ' 66' ' ' VAL . 0.0 OUTLIER -70.39 -42.3 71.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 10.82 110.824 179.693 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 8.5 p -65.63 -56.41 12.35 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.277 -0.42 . . . . 16.59 110.833 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 19.1 pt-20 -49.34 -37.13 23.45 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.28 -0.418 . . . . 17.27 110.675 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.72 -41.3 97.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.491 . . . . 10.55 110.717 179.753 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . 0.511 HG23 ' O ' ' B' ' 62' ' ' GLN . 25.7 t -62.67 -36.48 75.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 8.18 110.796 179.707 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 1.2 tttt -61.59 -53.35 57.47 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.058 -0.519 . . . . 14.15 110.633 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 21.8 ttmt -54.86 -36.84 65.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 9.54 110.626 179.663 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 69' ' ' MET . . . . . . . . . . . . . 33.3 ttp -66.05 -52.8 45.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.014 -0.539 . . . . 11.11 110.563 179.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.626 HG13 ' OH ' ' C' ' 78' ' ' TYR . 81.1 t -69.45 -26.93 32.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.082 -0.508 . . . . 10.9 110.765 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 33.0 t80 -57.33 -43.49 83.43 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.149 -0.478 . . . . 18.12 110.547 179.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -67.55 -50.15 59.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 24.27 110.603 179.656 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 73' ' ' THR . . . . . 0.657 HG23 HD22 ' D' ' 58' ' ' LEU . 52.4 m -50.26 -59.02 4.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 23.72 110.784 179.749 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 74' ' ' LEU . . . . . 0.583 ' HA ' HD12 ' B' ' 77' ' ' LEU . 23.5 mt -50.36 -39.32 46.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 27.14 110.966 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 4.1 tttt -49.2 -46.83 46.25 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.274 -0.421 . . . . 28.52 110.892 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -75.71 -26.36 57.45 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.948 -0.569 . . . . 28.25 110.78 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.583 HD12 ' HA ' ' B' ' 74' ' ' LEU . 43.3 mt -69.01 -49.56 56.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.082 -0.508 . . . . 28.18 110.968 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -73.7 -27.63 61.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 33.6 111.01 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.228 -0.442 . . . . 42.08 110.877 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.143 0 CA-C-O 120.804 0.335 . . . . 30.13 110.809 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -73.26 -52.44 14.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 26.72 110.391 179.586 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 57' ' ' ARG . . . . . 0.41 ' HB3' ' NH1' ' C' ' 57' ' ' ARG . 8.4 mtm105 -63.23 -39.31 94.26 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.938 -0.574 . . . . 27.38 110.361 179.46 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 58' ' ' LEU . . . . . 0.408 ' HA ' HD23 ' C' ' 58' ' ' LEU . 11.9 mt -59.94 -51.45 69.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.871 -0.604 . . . . 28.88 110.631 179.594 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -50.14 -35.94 27.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 24.46 110.9 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -67.87 -30.01 69.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.088 -0.506 . . . . 25.62 110.611 179.707 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -74.81 -50.48 17.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.002 -0.545 . . . . 27.21 110.817 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 64.4 mm-40 -54.11 -53.89 47.11 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.005 -0.543 . . . . 19.19 110.716 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 63' ' ' SER . . . . . . . . . . . . . 1.2 m -58.53 -38.81 78.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 15.92 110.732 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.74 -26.79 58.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.122 -0.49 . . . . 17.02 110.542 179.8 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 65' ' ' LEU . . . . . . . . . . . . . 4.9 mt -79.8 -32.65 40.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.072 -0.513 . . . . 17.17 110.366 179.682 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 66' ' ' VAL . . . . . . . . . . . . . 21.4 t -78.42 -38.26 22.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.943 -0.572 . . . . 9.8 110.982 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 67' ' ' LYS . . . . . 0.418 ' HG3' ' N ' ' C' ' 68' ' ' LYS . 2.2 ptmm? -62.43 -46.82 86.81 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.238 -0.437 . . . . 18.08 110.72 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 68' ' ' LYS . . . . . 0.418 ' N ' ' HG3' ' C' ' 67' ' ' LYS . 1.6 mppt? -60.09 -42.46 94.69 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.181 -0.463 . . . . 21.46 110.402 179.607 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 69' ' ' MET . . . . . . . . . . . . . 24.0 ttp -59.46 -37.79 79.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.958 -0.565 . . . . 8.65 110.442 179.596 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 74.0 t -73.97 -42.39 52.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.031 -0.531 . . . . 5.82 110.815 179.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 71' ' ' PHE . . . . . 0.432 ' CZ ' ' HD3' ' C' ' 75' ' ' LYS . 39.0 t80 -52.13 -59.79 3.96 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.402 -0.363 . . . . 16.71 110.444 179.742 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -53.48 -44.18 68.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.926 0.393 . . . . 9.7 110.367 179.721 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 73' ' ' THR . . . . . . . . . . . . . 19.9 m -63.63 -70.22 0.23 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.049 -0.523 . . . . 12.05 110.183 179.443 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 74' ' ' LEU . . . . . 0.461 ' CD1' ' HB3' ' D' ' 62' ' ' GLN . 14.8 mt -50.21 -36.34 30.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.08 -0.509 . . . . 18.64 110.95 179.725 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 75' ' ' LYS . . . . . 0.432 ' HD3' ' CZ ' ' C' ' 71' ' ' PHE . 17.4 ttpp -54.82 -69.57 0.13 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.069 -0.514 . . . . 19.68 110.136 179.462 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 76' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.17 -30.91 71.39 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.632 -0.713 . . . . 15.8 110.794 179.654 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 77' ' ' LEU . . . . . 0.6 HD12 ' C ' ' C' ' 77' ' ' LEU . 0.8 OUTLIER -64.23 -63.22 1.2 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.336 -0.393 . . . . 19.35 110.593 179.858 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' C' C ' 78' ' ' TYR . . . . . 0.626 ' OH ' HG13 ' B' ' 70' ' ' VAL . 22.0 m-30 -55.54 -32.08 62.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.31 -0.404 . . . . 25.94 110.555 179.646 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 1.3 tptm -65.23 -28.86 69.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.088 -0.506 . . . . 27.13 110.576 179.681 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.59 -38.1 86.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.03 -0.532 . . . . 30.33 110.598 179.76 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 81' ' ' THR . . . . . . . . . . . . . 21.8 p . . . . . 0 C--N 1.327 -0.376 0 CA-C-N 115.983 -0.553 . . . . 34.3 110.899 179.991 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 12.7 t0 . . . . . 0 CA--C 1.528 0.101 0 CA-C-O 120.721 0.295 . . . . 33.98 110.94 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' D' D ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.9 -49.36 77.0 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.322 -0.399 . . . . 32.8 111.166 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -58.55 -46.32 87.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 31.44 110.832 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 57' ' ' ARG . . . . . . . . . . . . . 73.8 mtt180 -61.23 -33.35 73.36 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.292 -0.413 . . . . 26.07 110.655 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 58' ' ' LEU . . . . . 0.657 HD22 HG23 ' B' ' 73' ' ' THR . 62.3 mt -70.33 -54.21 13.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.148 -0.478 . . . . 18.69 110.939 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.51 -30.51 20.56 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.939 -0.573 . . . . 18.94 111.133 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 60' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -71.28 -62.9 1.23 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.195 -0.457 . . . . 23.97 110.898 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 61' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -56.55 -35.99 68.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.306 -0.406 . . . . 17.29 110.663 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 62' ' ' GLN . . . . . 0.509 ' O ' HG23 ' D' ' 66' ' ' VAL . 0.0 OUTLIER -70.57 -42.16 71.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.144 -0.48 . . . . 15.54 110.851 179.802 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' D' D ' 63' ' ' SER . . . . . . . . . . . . . 8.7 p -65.77 -56.05 14.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.25 -0.432 . . . . 12.93 110.794 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 64' ' ' GLU . . . . . . . . . . . . . 19.1 pt-20 -49.52 -37.02 25.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.292 -0.413 . . . . 9.84 110.779 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 65' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.69 -41.62 97.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.038 -0.528 . . . . 5.74 110.63 179.716 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 66' ' ' VAL . . . . . 0.509 HG23 ' O ' ' D' ' 62' ' ' GLN . 25.3 t -62.46 -36.48 75.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 6.5 110.838 179.764 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 67' ' ' LYS . . . . . . . . . . . . . 1.2 tttt -61.63 -53.13 60.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.048 -0.524 . . . . 16.0 110.684 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 68' ' ' LYS . . . . . . . . . . . . . 21.8 ttmt -55.07 -36.82 66.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 17.99 110.574 179.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 69' ' ' MET . . . . . . . . . . . . . 33.5 ttp -66.14 -52.61 46.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.041 -0.527 . . . . 13.09 110.67 179.733 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 70' ' ' VAL . . . . . 0.618 HG13 ' OH ' ' A' ' 78' ' ' TYR . 86.3 t -69.74 -26.65 31.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.081 -0.509 . . . . 15.42 110.801 179.794 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 32.7 t80 -57.53 -43.55 84.43 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.107 -0.497 . . . . 25.08 110.553 179.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -67.53 -49.94 61.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 28.47 110.534 179.671 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 73' ' ' THR . . . . . 0.651 ' CG2' HD13 ' B' ' 58' ' ' LEU . 55.3 m -50.51 -58.72 5.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.115 -0.493 . . . . 21.82 110.789 179.785 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 74' ' ' LEU . . . . . 0.586 ' HA ' HD12 ' D' ' 77' ' ' LEU . 24.9 mt -50.73 -39.08 50.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.473 . . . . 21.0 110.915 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 75' ' ' LYS . . . . . . . . . . . . . 4.0 tttt -49.39 -46.91 47.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 27.09 110.836 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 76' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -75.58 -26.48 57.95 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.012 -0.54 . . . . 31.13 110.769 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 77' ' ' LEU . . . . . 0.586 HD12 ' HA ' ' D' ' 74' ' ' LEU . 42.7 mt -68.89 -49.57 57.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.066 -0.515 . . . . 30.39 110.99 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 78' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -73.63 -27.7 61.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.262 -0.426 . . . . 31.86 111.096 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.44 . . . . 39.46 110.974 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.129 0 CA-C-O 120.854 0.359 . . . . 33.69 110.791 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -63.96 -56.95 11.44 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.147 -0.479 . . . . 29.12 110.585 179.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 15.0 ptt180 -62.89 -43.37 98.98 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.015 -0.539 . . . . 38.06 110.074 179.366 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.619 ' C ' HD13 ' A' ' 58' ' ' LEU . 2.1 tm? -60.49 -53.17 60.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.661 -0.7 . . . . 25.14 110.474 179.562 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.436 ' N ' HD13 ' A' ' 58' ' ' LEU . . . -57.8 -44.45 86.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.006 -0.543 . . . . 20.44 110.832 179.811 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.5 -34.37 61.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 20.03 110.582 179.799 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -70.59 -40.46 73.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.49 . . . . 22.23 110.632 179.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.443 ' HB2' ' CD1' ' B' ' 74' ' ' LEU . 0.8 OUTLIER -64.42 -42.88 95.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.037 -0.528 . . . . 24.87 110.537 179.693 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 13.5 m -59.1 -35.66 73.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.053 -0.521 . . . . 16.67 110.564 179.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.43 ' O ' ' HG2' ' A' ' 67' ' ' LYS . 6.2 mt-10 -61.67 -49.24 77.29 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.107 -0.497 . . . . 25.03 110.493 179.636 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 5.9 mt -54.46 -32.57 57.97 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.15 -0.477 . . . . 17.31 110.181 179.506 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 62' ' ' GLN . 38.9 t -76.16 -50.58 22.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.893 -0.594 . . . . 14.87 111.047 179.786 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.43 ' HG2' ' O ' ' A' ' 64' ' ' GLU . 1.1 pttm -57.96 -43.55 86.52 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.325 -0.398 . . . . 13.59 110.517 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 5.4 ttpt -58.93 -39.07 80.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 12.91 110.475 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 38.2 ttp -63.54 -47.38 81.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.009 -0.541 . . . . 7.56 110.482 179.511 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.454 HG13 ' HG ' ' A' ' 74' ' ' LEU . 64.8 t -65.02 -34.0 67.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.981 -0.554 . . . . 9.15 110.57 179.734 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.507 ' CZ ' ' HD3' ' A' ' 75' ' ' LYS . 28.5 t80 -59.28 -60.8 3.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.334 -0.394 . . . . 11.77 110.455 179.631 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -52.79 -40.95 63.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 11.0 110.36 179.611 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 21.4 m -66.9 -70.68 0.23 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.046 -0.524 . . . . 12.12 110.37 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.662 HD12 ' HB2' ' B' ' 62' ' ' GLN . 13.3 mt -50.78 -37.62 43.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.095 -0.502 . . . . 13.89 110.994 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.507 ' HD3' ' CZ ' ' A' ' 71' ' ' PHE . 9.6 tttt -53.99 -69.32 0.13 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.031 0.443 . . . . 12.95 110.174 179.491 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.57 -29.69 70.19 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.687 -0.688 . . . . 16.39 110.807 179.597 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.615 ' C ' HD12 ' A' ' 77' ' ' LEU . 0.6 OUTLIER -66.8 -67.48 0.45 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.196 -0.456 . . . . 20.84 110.645 -179.913 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.718 ' CE2' HG21 ' D' ' 73' ' ' THR . 20.5 m-30 -50.7 -25.8 4.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.414 -0.357 . . . . 24.33 110.855 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.88 -38.02 87.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 26.63 110.858 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 15.4 tttt -67.32 -33.07 74.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 27.23 110.873 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 33.49 111.136 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.907 0.384 . . . . 35.05 110.723 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -54.38 -45.24 72.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.094 -0.503 . . . . 31.51 110.957 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -62.01 -56.48 18.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 32.8 110.612 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 8.3 mtm180 -53.01 -30.99 38.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 28.84 110.498 179.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . 0.634 HD22 HG23 ' D' ' 73' ' ' THR . 15.8 mt -68.95 -58.88 3.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.907 -0.588 . . . . 23.09 110.781 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -48.09 -34.3 9.5 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.862 -0.608 . . . . 19.66 111.036 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -63.31 -45.63 90.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.081 -0.509 . . . . 17.5 110.635 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 61' ' ' GLU . . . . . 0.568 ' O ' HD12 ' B' ' 65' ' ' LEU . 3.1 mt-10 -63.51 -33.81 76.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.229 -0.441 . . . . 11.69 110.797 179.73 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . 0.662 ' HB2' HD12 ' A' ' 74' ' ' LEU . 3.5 mm-40 -74.2 -47.07 37.91 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.163 -0.471 . . . . 11.47 110.574 179.754 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -53.6 -59.11 5.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 16.92 110.657 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -51.91 -36.84 50.28 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 116.213 -0.448 . . . . 19.25 110.401 179.659 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . 0.568 HD12 ' O ' ' B' ' 61' ' ' GLU . 0.0 OUTLIER -64.56 -51.06 64.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.963 -0.562 . . . . 10.43 110.39 179.531 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . 0.657 HG23 ' O ' ' B' ' 62' ' ' GLN . 21.4 t -58.71 -31.74 44.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.187 -0.46 . . . . 8.48 110.731 179.497 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 67' ' ' LYS . . . . . 0.412 ' O ' ' N ' ' B' ' 71' ' ' PHE . 6.2 tttt -60.65 -59.14 5.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.989 -0.551 . . . . 15.44 110.975 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 68' ' ' LYS . . . . . 0.402 ' HG2' ' O ' ' B' ' 65' ' ' LEU . 1.2 ptmt -56.16 -29.87 61.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.811 0.339 . . . . 9.58 110.71 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 69' ' ' MET . . . . . 0.648 ' HE2' HG13 ' B' ' 66' ' ' VAL . 57.5 ttp -72.07 -50.92 24.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.132 -0.486 . . . . 10.77 110.651 179.768 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.488 HG13 ' OH ' ' C' ' 78' ' ' TYR . 60.8 t -76.63 -20.52 14.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 10.88 111.161 179.823 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.412 ' N ' ' O ' ' B' ' 67' ' ' LYS . 13.2 t80 -69.15 -43.03 75.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.234 -0.439 . . . . 18.24 110.638 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -69.3 -41.09 77.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.496 . . . . 23.79 110.625 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 73' ' ' THR . . . . . 0.776 HG23 HD22 ' D' ' 58' ' ' LEU . 89.2 m -52.63 -59.28 4.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 23.0 110.614 179.795 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 74' ' ' LEU . . . . . 0.73 HD23 HD12 ' B' ' 77' ' ' LEU . 55.2 mt -52.27 -35.5 50.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 27.45 110.673 179.759 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -52.34 -43.5 64.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 29.7 110.475 179.832 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 76' ' ' ASP . . . . . 0.439 ' HA ' ' CG ' ' B' ' 79' ' ' LYS . 30.2 m-20 -76.38 -29.47 57.15 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.938 -0.574 . . . . 29.38 110.597 179.642 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.73 HD12 HD23 ' B' ' 74' ' ' LEU . 20.8 mt -66.93 -37.2 83.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.993 -0.548 . . . . 28.96 110.949 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 78' ' ' TYR . . . . . 0.412 ' CE1' HD12 ' A' ' 58' ' ' LEU . 1.6 m-85 -82.44 -59.98 2.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 35.22 111.068 -179.812 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 79' ' ' LYS . . . . . 0.439 ' CG ' ' HA ' ' B' ' 76' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.283 -0.417 . . . . 41.67 110.878 -179.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.124 0 CA-C-O 120.875 0.369 . . . . 30.68 110.854 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -63.96 -57.12 10.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 27.16 110.526 179.581 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 57' ' ' ARG . . . . . . . . . . . . . 15.0 ptt180 -62.79 -43.54 98.52 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.055 -0.521 . . . . 28.99 110.041 179.42 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 58' ' ' LEU . . . . . 0.617 HD13 ' C ' ' C' ' 58' ' ' LEU . 2.1 tm? -60.35 -53.05 62.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.653 -0.703 . . . . 29.7 110.526 179.523 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 59' ' ' ALA . . . . . 0.424 ' N ' HD13 ' C' ' 58' ' ' LEU . . . -57.6 -44.86 85.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.093 -0.503 . . . . 25.29 110.786 179.693 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.32 -34.4 60.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 24.76 110.655 179.808 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -70.52 -40.43 73.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 26.82 110.616 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 62' ' ' GLN . . . . . 0.441 ' O ' HG23 ' C' ' 66' ' ' VAL . 0.8 OUTLIER -64.54 -42.54 95.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.082 -0.508 . . . . 18.85 110.546 179.742 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' C' C ' 63' ' ' SER . . . . . . . . . . . . . 13.7 m -59.53 -35.47 74.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.062 -0.517 . . . . 16.15 110.542 179.739 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 64' ' ' GLU . . . . . 0.426 ' O ' ' HG2' ' C' ' 67' ' ' LYS . 6.2 mt-10 -61.79 -49.26 77.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.175 -0.466 . . . . 18.03 110.506 179.567 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 65' ' ' LEU . . . . . . . . . . . . . 6.0 mt -54.46 -32.56 57.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.086 -0.506 . . . . 18.19 110.186 179.521 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 66' ' ' VAL . . . . . 0.441 HG23 ' O ' ' C' ' 62' ' ' GLN . 38.9 t -76.17 -50.7 21.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.819 -0.628 . . . . 9.98 111.069 179.754 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 67' ' ' LYS . . . . . 0.426 ' HG2' ' O ' ' C' ' 64' ' ' GLU . 1.0 OUTLIER -57.82 -43.47 85.75 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.32 -0.4 . . . . 16.63 110.602 179.922 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' C' C ' 68' ' ' LYS . . . . . . . . . . . . . 5.3 ttpt -58.99 -39.11 80.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.018 -0.537 . . . . 22.57 110.448 179.581 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 69' ' ' MET . . . . . . . . . . . . . 38.1 ttp -63.62 -47.34 81.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.068 -0.514 . . . . 8.89 110.446 179.548 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 70' ' ' VAL . . . . . 0.459 HG13 ' HG ' ' C' ' 74' ' ' LEU . 72.1 t -65.13 -34.17 68.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.085 -0.507 . . . . 6.84 110.705 179.625 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 71' ' ' PHE . . . . . 0.498 ' CZ ' ' HD3' ' C' ' 75' ' ' LYS . 28.4 t80 -58.85 -60.9 3.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.26 -0.427 . . . . 18.23 110.357 179.63 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -52.8 -40.93 63.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.291 -0.413 . . . . 12.0 110.434 179.635 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 73' ' ' THR . . . . . . . . . . . . . 21.2 m -66.92 -70.54 0.24 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.011 -0.541 . . . . 11.18 110.471 179.647 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 74' ' ' LEU . . . . . 0.731 HD12 ' HB2' ' D' ' 62' ' ' GLN . 13.5 mt -50.96 -37.44 44.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.064 -0.516 . . . . 18.34 111.077 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 75' ' ' LYS . . . . . 0.498 ' HD3' ' CZ ' ' C' ' 71' ' ' PHE . 9.6 tttt -54.2 -68.98 0.14 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 20.12 110.221 179.46 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 76' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.77 -29.61 70.25 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.708 -0.678 . . . . 16.79 110.811 179.579 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 77' ' ' LEU . . . . . 0.613 HD12 ' C ' ' C' ' 77' ' ' LEU . 0.6 OUTLIER -66.81 -67.4 0.45 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.229 -0.441 . . . . 19.72 110.72 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' C' C ' 78' ' ' TYR . . . . . 0.766 ' CE2' HG21 ' B' ' 73' ' ' THR . 20.5 m-30 -50.72 -25.95 4.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.462 -0.335 . . . . 26.61 110.804 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.71 -38.15 88.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.297 -0.41 . . . . 27.85 110.896 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 15.2 tttt -67.21 -33.3 75.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.146 -0.479 . . . . 31.62 110.88 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 81' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 35.19 111.182 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.88 0.372 . . . . 33.59 110.837 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' D' D ' 55' ' ' ALA . . . . . . . . . . . . . . . -54.41 -45.14 72.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.495 . . . . 31.96 111.031 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -62.05 -56.51 18.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 30.96 110.69 179.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 57' ' ' ARG . . . . . . . . . . . . . 8.3 mtm180 -53.07 -30.9 38.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 23.23 110.481 179.708 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 58' ' ' LEU . . . . . 0.776 HD22 HG23 ' B' ' 73' ' ' THR . 15.6 mt -69.13 -58.52 3.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.865 -0.607 . . . . 18.78 110.887 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 59' ' ' ALA . . . . . . . . . . . . . . . -48.53 -34.05 10.63 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.872 -0.604 . . . . 18.71 111.084 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 60' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -63.45 -45.83 89.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.11 -0.495 . . . . 23.71 110.68 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 61' ' ' GLU . . . . . 0.581 ' O ' HD12 ' D' ' 65' ' ' LEU . 3.1 mt-10 -63.2 -33.85 76.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 16.83 110.857 179.811 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 62' ' ' GLN . . . . . 0.731 ' HB2' HD12 ' C' ' 74' ' ' LEU . 3.4 mm-40 -74.55 -46.87 36.15 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.187 -0.46 . . . . 14.78 110.681 179.791 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 63' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -53.55 -58.53 6.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 12.98 110.514 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 64' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -52.26 -36.88 53.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 7.85 110.417 179.601 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 65' ' ' LEU . . . . . 0.581 HD12 ' O ' ' D' ' 61' ' ' GLU . 0.0 OUTLIER -64.46 -51.03 65.12 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.014 -0.539 . . . . 5.8 110.376 179.488 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' D' D ' 66' ' ' VAL . . . . . 0.656 HG13 ' HE2' ' D' ' 69' ' ' MET . 21.5 t -58.72 -31.89 45.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.489 . . . . 5.91 110.576 179.641 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 67' ' ' LYS . . . . . 0.401 ' O ' ' N ' ' D' ' 71' ' ' PHE . 6.2 tttt -60.78 -58.97 6.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.927 -0.578 . . . . 14.76 110.933 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 68' ' ' LYS . . . . . 0.41 ' HG2' ' O ' ' D' ' 65' ' ' LEU . 1.2 ptmt -56.22 -29.87 61.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.874 0.368 . . . . 14.01 110.786 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 69' ' ' MET . . . . . 0.656 ' HE2' HG13 ' D' ' 66' ' ' VAL . 57.7 ttp -72.1 -50.87 24.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 12.71 110.653 179.811 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 70' ' ' VAL . . . . . 0.506 HG13 ' OH ' ' A' ' 78' ' ' TYR . 58.8 t -77.13 -19.89 14.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 14.98 111.187 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 71' ' ' PHE . . . . . 0.401 ' N ' ' O ' ' D' ' 67' ' ' LYS . 13.1 t80 -69.57 -43.06 73.66 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.329 -0.396 . . . . 24.46 110.583 179.689 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -69.14 -41.19 77.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.078 -0.51 . . . . 28.29 110.583 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 73' ' ' THR . . . . . 0.718 HG21 ' CE2' ' A' ' 78' ' ' TYR . 87.9 m -52.45 -59.6 4.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 22.5 110.62 179.793 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 74' ' ' LEU . . . . . 0.704 HD23 HD12 ' D' ' 77' ' ' LEU . 56.4 mt -52.02 -35.68 47.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 21.06 110.708 179.725 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 75' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -52.08 -43.62 63.94 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.214 -0.448 . . . . 26.25 110.492 179.764 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 76' ' ' ASP . . . . . 0.44 ' HA ' ' CG ' ' D' ' 79' ' ' LYS . 30.2 m-20 -76.36 -29.62 57.26 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.012 -0.54 . . . . 30.62 110.51 179.728 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 77' ' ' LEU . . . . . 0.704 HD12 HD23 ' D' ' 74' ' ' LEU . 21.0 mt -66.81 -37.22 84.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.07 -0.514 . . . . 30.32 110.941 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 78' ' ' TYR . . . . . 0.447 ' CE1' HD12 ' C' ' 58' ' ' LEU . 1.6 m-85 -82.21 -60.15 2.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 31.98 111.055 -179.784 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 79' ' ' LYS . . . . . 0.44 ' CG ' ' HA ' ' D' ' 76' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 40.74 111.014 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.812 0.339 . . . . 30.62 110.891 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -61.06 -57.11 13.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.222 -0.445 . . . . 27.38 110.6 179.737 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 1.2 mtm180 -65.74 -47.66 74.51 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.006 -0.543 . . . . 26.61 110.341 179.542 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.632 ' C ' HD13 ' A' ' 58' ' ' LEU . 2.4 tm? -54.3 -41.56 69.09 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.67 -0.695 . . . . 27.67 110.726 179.613 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.13 -40.68 86.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.059 -0.519 . . . . 24.99 111.056 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 58.4 t0 -58.48 -34.82 71.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 26.74 110.823 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -61.41 -56.34 21.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 26.78 110.83 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.416 ' HB2' ' CD1' ' B' ' 74' ' ' LEU . 6.3 mp0 -51.66 -39.01 57.39 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.006 -0.543 . . . . 19.87 110.698 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.59 -44.17 91.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.12 -0.491 . . . . 16.03 110.652 179.746 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.412 ' O ' ' HG2' ' A' ' 67' ' ' LYS . 0.1 OUTLIER -60.99 -20.43 62.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.467 . . . . 17.92 110.872 179.773 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.4 mt -78.92 -36.92 41.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.968 0.413 . . . . 15.66 110.204 179.458 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.418 ' O ' HG23 ' A' ' 70' ' ' VAL . 46.6 t -73.94 -40.02 52.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.898 -0.592 . . . . 10.09 110.75 179.463 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.437 ' CG ' ' N ' ' A' ' 68' ' ' LYS . 18.8 ptmt -64.94 -49.74 69.18 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.091 -0.504 . . . . 18.48 110.594 179.785 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.437 ' N ' ' CG ' ' A' ' 67' ' ' LYS . 0.0 OUTLIER -62.89 -34.61 77.76 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.134 -0.485 . . . . 21.81 110.25 179.583 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 7.3 tmm? -69.61 -45.67 68.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.805 -0.634 . . . . 8.59 110.257 179.45 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 66' ' ' VAL . 45.2 t -66.09 -35.07 74.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.031 -0.532 . . . . 4.96 110.5 179.618 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.479 ' CZ ' ' HE2' ' A' ' 75' ' ' LYS . 65.0 t80 -52.76 -60.36 3.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.288 -0.415 . . . . 14.92 110.404 179.662 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.59 -49.89 61.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 7.97 110.783 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.412 HG21 ' CE ' ' C' ' 69' ' ' MET . 19.8 m -57.62 -71.45 0.1 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.318 -0.401 . . . . 12.94 110.198 179.647 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.654 HD12 ' HB2' ' B' ' 62' ' ' GLN . 14.3 mt -49.7 -35.6 22.39 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.132 -0.485 . . . . 18.81 110.872 179.804 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.479 ' HE2' ' CZ ' ' A' ' 71' ' ' PHE . 6.6 ttmm -55.23 -67.72 0.25 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.021 -0.536 . . . . 22.04 110.204 179.544 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.63 -31.5 72.69 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.601 -0.727 . . . . 15.24 110.908 179.676 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.575 ' O ' HD12 ' A' ' 77' ' ' LEU . 1.1 tp -64.68 -60.32 3.24 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.396 -0.365 . . . . 19.34 110.75 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.553 ' CZ ' HG21 ' D' ' 73' ' ' THR . 22.0 m-30 -57.3 -23.8 50.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.357 -0.383 . . . . 25.69 110.762 179.625 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 24.7 mttt -69.48 -30.11 67.92 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.245 -0.434 . . . . 27.11 110.791 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -60.53 -26.54 66.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.245 -0.434 . . . . 30.08 110.864 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.526 HG22 ' CZ ' ' D' ' 78' ' ' TYR . 23.1 p . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 34.62 110.872 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . 0.402 ' HA ' ' HG2' ' B' ' 57' ' ' ARG . 31.1 m-20 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.732 0.301 . . . . 34.51 111.06 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 55' ' ' ALA . . . . . 0.449 ' HB1' ' HB2' ' A' ' 78' ' ' TYR . . . -52.54 -36.65 56.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.283 -0.417 . . . . 33.12 111.191 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.59 -59.72 3.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.293 -0.412 . . . . 31.33 110.862 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 57' ' ' ARG . . . . . 0.439 ' HG3' ' N ' ' B' ' 58' ' ' LEU . 0.0 OUTLIER -50.8 -30.78 15.1 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.302 -0.408 . . . . 23.7 110.713 179.925 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . 0.846 HD22 HG23 ' D' ' 73' ' ' THR . 4.2 mt -72.13 -62.71 1.33 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.108 -0.496 . . . . 18.69 110.816 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -44.89 -29.97 0.91 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.983 -0.553 . . . . 18.5 111.051 179.731 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -70.97 -41.91 70.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.985 -0.552 . . . . 22.38 110.224 179.364 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 61' ' ' GLU . . . . . 0.727 ' O ' HD12 ' B' ' 65' ' ' LEU . 0.6 OUTLIER -66.98 -31.36 71.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.971 -0.559 . . . . 16.49 110.404 179.523 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . 0.654 ' HB2' HD12 ' A' ' 74' ' ' LEU . 12.4 mm-40 -72.85 -47.52 45.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.958 -0.565 . . . . 15.19 110.575 179.796 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.12 -60.5 3.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.481 . . . . 13.01 110.589 179.754 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -53.15 -31.82 44.48 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 116.253 -0.43 . . . . 10.77 110.346 179.599 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . 0.727 HD12 ' O ' ' B' ' 61' ' ' GLU . 0.1 OUTLIER -71.18 -50.57 31.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.985 -0.552 . . . . 5.2 110.295 179.522 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . 0.468 HG23 ' O ' ' B' ' 62' ' ' GLN . 59.3 t -63.63 -32.28 56.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.185 -0.461 . . . . 6.98 110.846 179.612 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 67' ' ' LYS . . . . . 0.408 ' HB2' ' HB3' ' A' ' 67' ' ' LYS . 22.6 tttt -64.07 -53.64 46.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.1 -0.5 . . . . 18.16 110.954 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 15.8 mttt -57.35 -33.01 67.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.458 . . . . 18.65 110.742 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 69' ' ' MET . . . . . . . . . . . . . 28.7 ttp -69.96 -49.64 49.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 12.7 110.797 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.417 HG13 ' CE1' ' C' ' 78' ' ' TYR . 95.7 t -74.95 -22.73 17.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 15.14 111.062 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -63.41 -45.2 92.11 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.414 -0.357 . . . . 24.68 110.591 179.669 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.76 -45.04 76.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.064 -0.517 . . . . 27.81 110.773 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 73' ' ' THR . . . . . 0.833 HG23 HD22 ' D' ' 58' ' ' LEU . 54.4 m -49.97 -54.65 18.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.231 -0.441 . . . . 20.68 110.852 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 74' ' ' LEU . . . . . 0.88 HD23 HD12 ' B' ' 77' ' ' LEU . 41.3 mt -54.19 -40.3 67.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 21.12 110.841 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.34 -47.3 62.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.448 . . . . 27.77 110.655 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -72.23 -31.07 65.5 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.989 -0.551 . . . . 31.16 110.555 179.707 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.88 HD12 HD23 ' B' ' 74' ' ' LEU . 25.3 mt -62.64 -48.97 77.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.944 -0.571 . . . . 30.46 110.746 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 78' ' ' TYR . . . . . 0.453 ' CZ ' HG22 ' C' ' 81' ' ' THR . 54.9 m-85 -79.83 -28.31 40.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.064 -0.517 . . . . 32.77 110.874 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.059 -0.519 . . . . 38.31 111.16 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.772 0.32 . . . . 35.05 110.853 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -61.0 -57.26 13.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 30.09 110.579 179.726 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 57' ' ' ARG . . . . . . . . . . . . . 1.2 mtm180 -65.7 -47.54 75.07 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.001 -0.545 . . . . 38.13 110.295 179.605 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 58' ' ' LEU . . . . . 0.623 HD13 ' C ' ' C' ' 58' ' ' LEU . 2.4 tm? -54.36 -41.83 69.58 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.677 -0.692 . . . . 27.88 110.69 179.609 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.88 -40.78 85.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.058 -0.519 . . . . 21.05 111.06 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 58.2 t0 -58.51 -34.57 71.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.236 -0.438 . . . . 18.13 110.828 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -61.63 -56.32 21.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 20.14 110.812 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 62' ' ' GLN . . . . . 0.414 ' N ' ' OE1' ' C' ' 62' ' ' GLN . 6.3 mp0 -51.57 -39.02 57.07 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.025 -0.534 . . . . 23.8 110.697 179.814 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 63' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.74 -44.05 91.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.112 -0.494 . . . . 18.02 110.689 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 64' ' ' GLU . . . . . 0.417 ' O ' ' HG2' ' C' ' 67' ' ' LYS . 0.1 OUTLIER -60.96 -20.5 62.38 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.138 -0.483 . . . . 25.02 110.899 179.762 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' C' C ' 65' ' ' LEU . . . . . . . . . . . . . 3.3 mt -78.9 -36.61 41.75 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.962 0.411 . . . . 18.51 110.244 179.534 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 66' ' ' VAL . . . . . 0.427 ' O ' HG23 ' C' ' 70' ' ' VAL . 46.3 t -74.31 -39.94 49.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.95 -0.568 . . . . 14.56 110.729 179.492 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 67' ' ' LYS . . . . . 0.441 ' CG ' ' N ' ' C' ' 68' ' ' LYS . 18.8 ptmt -64.91 -49.56 69.96 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.071 -0.513 . . . . 9.08 110.571 179.759 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 68' ' ' LYS . . . . . 0.441 ' N ' ' CG ' ' C' ' 67' ' ' LYS . 0.0 OUTLIER -63.1 -34.71 78.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.112 -0.494 . . . . 13.43 110.155 179.604 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' C' C ' 69' ' ' MET . . . . . 0.412 ' CE ' HG21 ' A' ' 73' ' ' THR . 7.3 tmm? -69.51 -45.96 67.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.86 -0.609 . . . . 8.97 110.242 179.462 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 70' ' ' VAL . . . . . 0.427 HG23 ' O ' ' C' ' 66' ' ' VAL . 46.2 t -65.81 -35.22 74.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.967 -0.56 . . . . 9.34 110.49 179.595 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 71' ' ' PHE . . . . . 0.47 ' CZ ' ' HE2' ' C' ' 75' ' ' LYS . 64.9 t80 -52.64 -60.45 3.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.275 -0.42 . . . . 15.68 110.415 179.68 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.52 -49.82 61.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.282 -0.417 . . . . 14.1 110.697 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 73' ' ' THR . . . . . . . . . . . . . 19.7 m -57.74 -71.55 0.1 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.383 -0.372 . . . . 10.27 110.191 179.715 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 74' ' ' LEU . . . . . 0.709 HD12 ' HB2' ' D' ' 62' ' ' GLN . 14.5 mt -49.65 -35.31 20.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.131 -0.486 . . . . 12.88 110.899 179.801 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 75' ' ' LYS . . . . . 0.47 ' HE2' ' CZ ' ' C' ' 71' ' ' PHE . 6.6 ttmm -55.53 -67.87 0.25 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.074 -0.512 . . . . 14.79 110.167 179.436 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 76' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.41 -31.6 72.8 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.625 -0.716 . . . . 17.98 110.926 179.687 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 77' ' ' LEU . . . . . 0.571 ' O ' HD12 ' C' ' 77' ' ' LEU . 1.1 tp -64.59 -60.24 3.35 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.307 -0.406 . . . . 21.17 110.751 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 78' ' ' TYR . . . . . 0.637 ' CZ ' HG21 ' B' ' 73' ' ' THR . 22.0 m-30 -57.5 -23.59 51.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.336 -0.393 . . . . 26.13 110.74 179.691 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 24.7 mttt -69.59 -30.08 67.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.304 -0.407 . . . . 23.96 110.796 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -60.63 -26.4 67.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.213 -0.449 . . . . 29.34 110.911 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 81' ' ' THR . . . . . 0.537 ' OG1' HD22 ' B' ' 77' ' ' LEU . 23.4 p . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 33.22 110.872 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.751 0.31 . . . . 33.48 110.992 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' D' D ' 55' ' ' ALA . . . . . 0.519 ' HB1' ' HB2' ' C' ' 78' ' ' TYR . . . -52.56 -36.59 56.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.304 -0.407 . . . . 29.77 111.192 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.58 -59.86 3.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 33.72 110.871 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 57' ' ' ARG . . . . . 0.438 ' HG3' ' N ' ' D' ' 58' ' ' LEU . 0.0 OUTLIER -50.81 -30.77 15.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.266 -0.424 . . . . 25.7 110.754 179.913 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' D' D ' 58' ' ' LEU . . . . . 0.833 HD22 HG23 ' B' ' 73' ' ' THR . 4.2 mt -72.28 -61.9 1.63 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.063 -0.517 . . . . 22.49 110.808 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 59' ' ' ALA . . . . . . . . . . . . . . . -45.61 -29.95 1.37 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.993 -0.549 . . . . 20.24 111.058 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 60' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -71.05 -41.66 70.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.972 -0.558 . . . . 18.72 110.239 179.425 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 61' ' ' GLU . . . . . 0.725 ' O ' HD12 ' D' ' 65' ' ' LEU . 0.6 OUTLIER -67.07 -31.25 71.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.011 -0.541 . . . . 12.14 110.484 179.548 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' D' D ' 62' ' ' GLN . . . . . 0.709 ' HB2' HD12 ' C' ' 74' ' ' LEU . 12.4 mm-40 -72.92 -47.74 43.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.927 -0.578 . . . . 10.86 110.624 179.699 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 63' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.84 -60.45 3.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 16.52 110.573 179.735 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 64' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -53.18 -31.85 44.86 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 116.279 -0.419 . . . . 17.91 110.376 179.626 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 65' ' ' LEU . . . . . 0.725 HD12 ' O ' ' D' ' 61' ' ' GLU . 0.1 OUTLIER -71.17 -50.29 34.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.961 -0.563 . . . . 10.48 110.414 179.472 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' D' D ' 66' ' ' VAL . . . . . 0.466 HG23 ' O ' ' D' ' 62' ' ' GLN . 58.9 t -63.89 -32.3 56.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.117 -0.492 . . . . 7.95 110.793 179.622 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 67' ' ' LYS . . . . . 0.415 ' HB2' ' HB3' ' C' ' 67' ' ' LYS . 22.7 tttt -64.01 -53.79 44.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.013 -0.539 . . . . 11.76 110.898 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 68' ' ' LYS . . . . . . . . . . . . . 15.9 mttt -57.33 -32.89 67.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 10.29 110.764 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 69' ' ' MET . . . . . . . . . . . . . 28.4 ttp -70.05 -49.66 49.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 10.96 110.759 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 70' ' ' VAL . . . . . 0.478 HG13 ' CE1' ' A' ' 78' ' ' TYR . 96.8 t -74.79 -22.94 17.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.057 -0.519 . . . . 10.62 111.034 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -63.23 -45.25 92.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.342 -0.39 . . . . 17.69 110.677 179.662 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.74 -45.08 76.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 24.27 110.786 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 73' ' ' THR . . . . . 0.846 HG23 HD22 ' B' ' 58' ' ' LEU . 54.0 m -49.91 -54.7 18.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 24.25 110.885 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 74' ' ' LEU . . . . . 0.874 HD23 HD12 ' D' ' 77' ' ' LEU . 41.5 mt -54.07 -40.43 67.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 27.11 110.835 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.25 -47.21 62.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 27.92 110.715 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 76' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -72.32 -31.22 65.49 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.947 -0.57 . . . . 28.07 110.535 179.686 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 77' ' ' LEU . . . . . 0.874 HD12 HD23 ' D' ' 74' ' ' LEU . 25.5 mt -62.36 -49.18 76.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.959 -0.564 . . . . 28.71 110.775 179.793 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 78' ' ' TYR . . . . . 0.526 ' CZ ' HG22 ' A' ' 81' ' ' THR . 54.9 m-85 -79.8 -28.22 40.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.065 -0.516 . . . . 34.02 110.855 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.036 -0.529 . . . . 41.81 111.24 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.144 0 CA-C-O 120.861 0.362 . . . . 34.04 110.562 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -62.41 -57.73 10.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.1 -0.5 . . . . 29.39 110.483 179.612 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 15.3 ptp180 -61.44 -44.76 96.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.953 -0.567 . . . . 35.37 110.175 179.406 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.623 ' C ' HD13 ' A' ' 58' ' ' LEU . 1.6 tm? -58.68 -44.97 90.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.651 -0.704 . . . . 24.77 110.471 179.496 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -55.78 -37.26 68.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.973 -0.558 . . . . 20.78 110.856 179.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -62.13 -38.28 88.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.036 -0.529 . . . . 21.17 110.643 179.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 56.1 tt0 -55.44 -63.93 1.01 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.489 . . . . 23.16 110.735 179.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.431 ' N ' ' OE1' ' A' ' 62' ' ' GLN . 0.1 OUTLIER -50.76 -38.69 49.37 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.005 -0.543 . . . . 25.12 110.808 179.797 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.411 ' HB3' ' HG2' ' B' ' 67' ' ' LYS . 4.9 m -59.5 -30.76 68.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 16.8 110.628 179.737 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.03 -38.98 66.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.078 -0.51 . . . . 24.63 110.707 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 23.8 mt -56.76 -41.19 77.16 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.097 -0.501 . . . . 15.96 110.74 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 62.0 t -67.97 -49.27 69.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.055 -0.521 . . . . 14.19 111.01 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.9 tttm -55.41 -51.03 68.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 14.35 110.608 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -54.3 -39.3 66.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 11.89 110.579 179.676 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.662 ' HE2' HG21 ' C' ' 73' ' ' THR . 53.9 ttp -65.59 -40.69 92.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 7.44 110.568 179.754 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.459 HG13 ' HG ' ' A' ' 74' ' ' LEU . 73.5 t -71.17 -41.52 75.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.029 -0.532 . . . . 8.9 110.837 179.755 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.498 ' CZ ' ' HD3' ' A' ' 75' ' ' LYS . 19.6 t80 -51.95 -60.77 2.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.34 -0.391 . . . . 9.15 110.591 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -52.23 -45.73 65.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 11.38 110.771 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.65 HG21 ' HE2' ' C' ' 69' ' ' MET . 18.5 m -64.2 -69.3 0.29 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.354 -0.384 . . . . 13.3 110.356 179.714 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.47 ' CD1' ' CB ' ' B' ' 62' ' ' GLN . 14.8 mt -50.37 -36.09 31.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 14.76 110.961 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.498 ' HD3' ' CZ ' ' A' ' 71' ' ' PHE . 7.8 tttp -55.46 -67.6 0.27 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.121 0.486 . . . . 13.24 110.107 179.408 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.51 -32.03 72.88 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.543 -0.753 . . . . 16.39 110.842 179.59 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.548 ' C ' HD12 ' A' ' 77' ' ' LEU . 1.2 tp -65.58 -65.04 0.73 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.329 -0.396 . . . . 21.23 110.629 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.645 ' OH ' HG13 ' D' ' 70' ' ' VAL . 22.7 m-30 -55.85 -24.63 37.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 23.58 110.759 179.67 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.09 -27.72 64.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.311 -0.404 . . . . 28.75 110.47 179.661 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.46 -41.77 96.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.106 -0.497 . . . . 27.54 110.687 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 70.9 p . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.035 -0.53 . . . . 33.04 110.764 179.791 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 2.1 t0 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.962 0.411 . . . . 33.76 110.949 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -51.58 -38.02 52.49 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.079 -0.509 . . . . 31.2 111.022 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.53 -52.21 23.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 29.52 110.837 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 17.7 mtt180 -57.79 -26.67 62.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 30.76 110.684 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . 0.879 HD13 ' CG2' ' D' ' 73' ' ' THR . 24.8 mt -76.21 -51.95 11.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.112 -0.495 . . . . 21.88 110.886 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.08 -50.52 72.53 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.991 -0.549 . . . . 18.8 110.954 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -59.57 -51.23 70.71 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.175 -0.466 . . . . 18.15 110.882 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 61' ' ' GLU . . . . . 0.405 ' O ' ' HG2' ' B' ' 64' ' ' GLU . 21.6 tp10 -58.27 -36.67 73.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 11.5 110.727 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . 0.515 ' O ' HG23 ' B' ' 66' ' ' VAL . 0.1 OUTLIER -73.93 -49.46 24.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.986 -0.552 . . . . 11.24 110.891 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 1.5 m -58.71 -55.63 32.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.891 0.377 . . . . 16.65 110.349 179.615 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . 0.439 ' HG3' ' N ' ' B' ' 65' ' ' LEU . 10.4 pt-20 -48.2 -37.71 16.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.079 -0.509 . . . . 19.04 110.685 179.567 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . 0.439 ' N ' ' HG3' ' B' ' 64' ' ' GLU . 0.1 OUTLIER -63.03 -40.39 97.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.93 -0.577 . . . . 9.51 110.594 179.657 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . 0.515 HG23 ' O ' ' B' ' 62' ' ' GLN . 3.5 t -64.19 -38.64 83.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.092 -0.504 . . . . 8.48 110.95 179.801 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 67' ' ' LYS . . . . . 0.411 ' HG2' ' HB3' ' A' ' 63' ' ' SER . 0.0 OUTLIER -54.99 -63.8 1.04 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.048 -0.524 . . . . 17.23 110.735 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 1.3 ttmp? -50.82 -32.33 19.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.279 -0.419 . . . . 9.62 110.638 179.751 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 69' ' ' MET . . . . . 0.452 ' HE2' HG13 ' B' ' 66' ' ' VAL . 26.4 ttp -68.28 -53.16 26.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.009 -0.541 . . . . 10.98 110.653 179.719 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.72 HG13 ' OH ' ' C' ' 78' ' ' TYR . 58.9 t -69.98 -25.13 27.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 11.7 110.842 179.756 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -59.81 -45.9 90.9 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.125 -0.489 . . . . 18.62 110.669 179.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.71 -46.36 79.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.12 -0.491 . . . . 24.11 110.676 179.752 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 73' ' ' THR . . . . . 0.88 ' CG2' HD13 ' D' ' 58' ' ' LEU . 96.5 m -51.84 -60.79 2.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 22.07 110.82 179.788 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 74' ' ' LEU . . . . . 0.776 HD23 HD12 ' B' ' 77' ' ' LEU . 29.5 mt -50.2 -47.41 54.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 26.9 110.998 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 6.4 tttt -49.94 -41.45 46.39 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.338 -0.392 . . . . 29.9 110.835 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -79.11 -26.69 42.89 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.957 -0.565 . . . . 29.48 110.771 179.779 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.776 HD12 HD23 ' B' ' 74' ' ' LEU . 18.7 mt -67.6 -46.26 73.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.065 -0.516 . . . . 28.86 111.036 -179.867 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -71.23 -60.49 2.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 34.8 111.025 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 16.6 ptmt . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 40.73 111.171 -179.66 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.184 0 CA-C-O 120.795 0.331 . . . . 31.33 110.6 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -62.46 -57.98 9.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.465 . . . . 27.74 110.376 179.552 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 57' ' ' ARG . . . . . . . . . . . . . 15.3 ptp180 -61.22 -44.9 96.52 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.949 -0.568 . . . . 28.85 110.178 179.461 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 58' ' ' LEU . . . . . 0.63 HD13 ' C ' ' C' ' 58' ' ' LEU . 1.6 tm? -58.49 -45.11 89.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.657 -0.702 . . . . 30.27 110.525 179.453 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 59' ' ' ALA . . . . . 0.41 ' O ' HD12 ' D' ' 74' ' ' LEU . . . -55.67 -37.33 68.15 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.916 -0.584 . . . . 25.0 110.882 179.672 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -62.06 -38.25 88.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.095 -0.502 . . . . 24.52 110.68 179.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 56.2 tt0 -55.46 -63.94 1.01 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.071 -0.513 . . . . 25.25 110.737 179.758 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 62' ' ' GLN . . . . . 0.428 ' N ' ' OE1' ' C' ' 62' ' ' GLN . 0.1 OUTLIER -50.78 -38.6 49.11 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.989 -0.551 . . . . 18.58 110.85 179.783 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' C' C ' 63' ' ' SER . . . . . . . . . . . . . 5.2 m -59.53 -30.93 68.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.117 -0.492 . . . . 16.32 110.606 179.73 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.91 -38.77 66.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.08 -0.509 . . . . 18.75 110.791 179.747 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 65' ' ' LEU . . . . . . . . . . . . . 23.4 mt -56.93 -41.23 77.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.471 . . . . 18.58 110.719 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 66' ' ' VAL . . . . . . . . . . . . . 61.6 t -67.94 -49.3 69.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.105 -0.498 . . . . 10.19 110.955 179.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 67' ' ' LYS . . . . . . . . . . . . . 7.8 tttm -55.07 -51.28 66.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 14.83 110.683 179.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 68' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -54.21 -39.44 66.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 22.23 110.668 179.721 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 69' ' ' MET . . . . . 0.65 ' HE2' HG21 ' A' ' 73' ' ' THR . 53.9 ttp -65.4 -40.66 93.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.109 -0.496 . . . . 9.37 110.65 179.684 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 70' ' ' VAL . . . . . 0.455 HG13 ' HG ' ' C' ' 74' ' ' LEU . 73.5 t -71.24 -41.28 74.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.047 -0.524 . . . . 7.4 110.826 179.81 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 71' ' ' PHE . . . . . 0.49 ' CZ ' ' HD3' ' C' ' 75' ' ' LYS . 19.7 t80 -52.36 -60.56 3.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.409 -0.36 . . . . 19.17 110.557 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -52.23 -45.98 65.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.279 -0.419 . . . . 12.08 110.695 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 73' ' ' THR . . . . . 0.662 HG21 ' HE2' ' A' ' 69' ' ' MET . 18.7 m -63.92 -69.35 0.28 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.29 -0.414 . . . . 9.9 110.362 179.738 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 74' ' ' LEU . . . . . 0.476 ' CD1' ' CB ' ' D' ' 62' ' ' GLN . 14.9 mt -50.42 -36.1 31.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 17.38 110.962 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 75' ' ' LYS . . . . . 0.49 ' HD3' ' CZ ' ' C' ' 71' ' ' PHE . 7.9 tttp -55.53 -67.46 0.28 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.13 -0.486 . . . . 20.0 110.06 179.49 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 76' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.56 -32.09 73.0 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.641 -0.708 . . . . 17.05 110.799 179.601 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 77' ' ' LEU . . . . . 0.537 HD12 ' C ' ' C' ' 77' ' ' LEU . 1.2 tp -65.51 -65.18 0.71 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.297 -0.41 . . . . 19.52 110.642 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 78' ' ' TYR . . . . . 0.72 ' OH ' HG13 ' B' ' 70' ' ' VAL . 22.7 m-30 -55.75 -24.68 36.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.433 . . . . 26.29 110.703 179.776 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.89 -27.91 65.19 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.319 -0.4 . . . . 27.06 110.494 179.621 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.3 -41.65 96.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.092 -0.504 . . . . 31.51 110.799 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 81' ' ' THR . . . . . . . . . . . . . 69.5 p . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.061 -0.518 . . . . 34.33 110.791 179.8 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 2.1 t0 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.868 0.366 . . . . 32.6 110.923 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' D' D ' 55' ' ' ALA . . . . . . . . . . . . . . . -51.72 -37.96 53.23 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.121 -0.49 . . . . 31.52 110.995 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.6 -52.1 23.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 30.43 110.816 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 57' ' ' ARG . . . . . . . . . . . . . 17.5 mtt180 -57.73 -26.77 62.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 22.56 110.735 179.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 58' ' ' LEU . . . . . 0.88 HD13 ' CG2' ' B' ' 73' ' ' THR . 23.8 mt -76.01 -52.65 9.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.038 -0.528 . . . . 18.68 110.896 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 59' ' ' ALA . . . . . . . . . . . . . . . -56.45 -50.79 70.66 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.008 -0.542 . . . . 19.09 110.909 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 60' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -59.43 -51.33 70.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 24.8 110.884 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 61' ' ' GLU . . . . . . . . . . . . . 21.5 tp10 -58.09 -36.71 73.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.233 -0.44 . . . . 17.02 110.754 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 62' ' ' GLN . . . . . 0.505 ' O ' HG23 ' D' ' 66' ' ' VAL . 0.0 OUTLIER -74.05 -49.65 23.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.022 -0.535 . . . . 14.62 110.919 179.931 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' D' D ' 63' ' ' SER . . . . . . . . . . . . . 1.5 m -58.31 -55.61 32.82 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.979 0.418 . . . . 13.4 110.319 179.702 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 64' ' ' GLU . . . . . 0.439 ' HG3' ' N ' ' D' ' 65' ' ' LEU . 10.3 pt-20 -48.34 -37.64 17.14 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.972 -0.558 . . . . 8.35 110.583 179.581 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 65' ' ' LEU . . . . . 0.439 ' N ' ' HG3' ' D' ' 64' ' ' GLU . 0.1 OUTLIER -63.04 -40.48 97.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.953 -0.567 . . . . 6.0 110.614 179.653 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' D' D ' 66' ' ' VAL . . . . . 0.505 HG23 ' O ' ' D' ' 62' ' ' GLN . 3.6 t -64.11 -38.62 82.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.068 -0.514 . . . . 5.63 110.964 179.765 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.96 -63.77 1.05 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.086 -0.506 . . . . 12.74 110.804 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 68' ' ' LYS . . . . . . . . . . . . . 1.3 ttmp? -50.77 -32.31 19.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.22 -0.445 . . . . 17.63 110.596 179.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 69' ' ' MET . . . . . 0.455 ' HE2' HG13 ' D' ' 66' ' ' VAL . 26.3 ttp -68.06 -53.53 24.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.011 -0.541 . . . . 12.93 110.668 179.65 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 70' ' ' VAL . . . . . 0.645 HG13 ' OH ' ' A' ' 78' ' ' TYR . 58.7 t -69.89 -24.88 27.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.06 -0.518 . . . . 15.14 110.862 179.756 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 26.2 t80 -59.97 -46.04 90.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 24.0 110.617 179.719 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.58 -46.39 79.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 28.15 110.63 179.699 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 73' ' ' THR . . . . . 0.879 ' CG2' HD13 ' B' ' 58' ' ' LEU . 97.3 m -51.82 -60.72 2.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.101 -0.5 . . . . 23.4 110.864 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 74' ' ' LEU . . . . . 0.774 HD23 HD12 ' D' ' 77' ' ' LEU . 29.3 mt -50.36 -47.35 56.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.487 . . . . 21.66 110.919 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 75' ' ' LYS . . . . . . . . . . . . . 6.6 tttt -49.98 -41.34 46.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.939 0.399 . . . . 25.99 110.795 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 76' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -79.28 -26.64 42.3 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.991 -0.55 . . . . 29.55 110.729 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 77' ' ' LEU . . . . . 0.774 HD12 HD23 ' D' ' 74' ' ' LEU . 18.9 mt -67.5 -46.38 73.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.07 -0.514 . . . . 30.66 111.039 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 78' ' ' TYR . . . . . 0.512 ' CE1' HD12 ' C' ' 58' ' ' LEU . 2.5 m-85 -71.11 -60.43 2.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.096 -0.502 . . . . 31.84 111.145 -179.847 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 79' ' ' LYS . . . . . . . . . . . . . 16.6 ptmt . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 41.18 111.123 -179.715 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.505 ' HB1' ' CG ' ' B' ' 78' ' ' TYR . . . . . . . . 0 N--CA 1.457 -0.116 0 CA-C-O 120.884 0.373 . . . . 34.3 110.61 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -67.51 -55.93 11.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.083 -0.508 . . . . 29.41 110.426 179.534 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.49 -42.2 91.61 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.794 -0.639 . . . . 34.03 110.41 179.491 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.42 ' HA ' HD23 ' A' ' 58' ' ' LEU . 14.5 mt -58.08 -47.4 83.33 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.905 -0.589 . . . . 32.25 110.644 179.604 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.6 -38.85 56.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 23.57 110.996 179.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.7 -28.59 64.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.06 -0.518 . . . . 20.85 110.677 179.773 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -78.74 -40.28 33.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 22.8 110.651 179.811 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.423 ' HB2' HD13 ' B' ' 74' ' ' LEU . 54.6 mm-40 -66.82 -40.29 87.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.054 -0.521 . . . . 18.78 110.44 179.652 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.9 p -62.77 -38.22 89.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 18.14 110.548 179.634 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.416 ' HA ' ' HG2' ' A' ' 67' ' ' LYS . 1.9 mm-40 -60.49 -37.53 81.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 21.04 110.731 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.79 -34.04 77.41 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.132 -0.486 . . . . 19.83 110.726 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.433 ' O ' HG23 ' A' ' 70' ' ' VAL . 48.2 t -81.99 -33.43 11.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 12.41 111.624 -179.757 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.416 ' HG2' ' HA ' ' A' ' 64' ' ' GLU . 14.0 ptmt -73.94 -30.37 62.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.981 0.42 . . . . 9.07 110.384 179.672 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 13.7 ttmt -74.49 -44.22 52.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.848 -0.615 . . . . 18.41 110.445 179.619 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.515 ' SD ' HG21 ' C' ' 73' ' ' THR . 6.4 ptt? -63.44 -37.47 87.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.26 -0.427 . . . . 9.41 110.261 179.575 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 66' ' ' VAL . 46.9 t -70.69 -40.19 76.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.014 -0.539 . . . . 8.86 110.309 179.234 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.427 ' O ' ' CB ' ' A' ' 75' ' ' LYS . 67.0 t80 -54.15 -59.69 4.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.057 -0.52 . . . . 20.46 110.224 179.446 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -53.33 -46.16 69.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 14.62 110.474 179.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.418 HG21 ' SD ' ' C' ' 69' ' ' MET . 18.3 m -60.65 -70.23 0.19 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.22 -0.446 . . . . 8.28 110.199 179.519 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.724 HD12 ' HB2' ' B' ' 62' ' ' GLN . 15.5 mt -51.41 -35.66 40.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 15.15 110.944 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.427 ' CB ' ' O ' ' A' ' 71' ' ' PHE . 8.3 tttt -55.43 -68.61 0.18 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.108 -0.496 . . . . 18.97 110.186 179.474 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.19 -31.21 72.3 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.651 -0.704 . . . . 18.82 110.76 179.677 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.713 ' O ' HD12 ' A' ' 77' ' ' LEU . 1.7 tp -64.88 -46.13 83.07 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.421 -0.354 . . . . 20.72 110.457 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.526 ' CD1' HD11 ' D' ' 77' ' ' LEU . 21.2 m-30 -71.37 -23.2 61.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 28.2 110.595 179.523 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.1 tppp? -74.55 -28.99 61.19 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.326 -0.397 . . . . 26.18 110.507 179.608 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 2.2 mttm -68.29 -36.28 79.14 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.13 -0.486 . . . . 31.35 110.821 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.076 -0.511 . . . . 34.06 110.879 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.757 0.313 . . . . 31.8 111.042 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -52.13 -43.23 63.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.291 -0.413 . . . . 29.01 110.774 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -71.75 -49.44 39.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.018 -0.537 . . . . 31.4 110.516 179.672 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -54.97 -34.99 63.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 23.47 110.522 179.612 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . 0.912 HD22 HG23 ' D' ' 73' ' ' THR . 8.6 mt -65.45 -60.95 2.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.951 -0.568 . . . . 20.17 110.712 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -45.75 -32.66 2.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.941 -0.572 . . . . 19.59 111.182 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 46.7 t0 -65.05 -43.98 90.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.96 -0.564 . . . . 23.57 110.474 179.699 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 62.0 mm-40 -66.31 -34.99 79.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.108 -0.497 . . . . 17.48 110.496 179.63 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . 0.724 ' HB2' HD12 ' A' ' 74' ' ' LEU . 3.0 mm-40 -70.36 -45.76 65.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.058 -0.519 . . . . 10.83 110.574 179.572 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.03 -60.39 3.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.071 -0.513 . . . . 14.08 110.573 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -51.2 -33.05 25.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.313 -0.403 . . . . 10.01 110.407 179.612 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.35 -49.09 62.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.934 -0.575 . . . . 8.17 110.446 179.574 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . 0.661 HG13 ' HE2' ' B' ' 69' ' ' MET . 26.2 t -64.35 -32.74 58.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 5.74 111.003 179.787 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -59.61 -60.48 3.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.112 -0.495 . . . . 6.16 110.795 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 20.1 tttt -53.91 -34.09 58.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.919 0.39 . . . . 14.52 110.666 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 69' ' ' MET . . . . . 0.661 ' HE2' HG13 ' B' ' 66' ' ' VAL . 47.8 ttp -65.6 -49.51 68.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.066 -0.515 . . . . 12.51 110.451 179.736 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 92.3 t -74.67 -24.38 18.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.97 -0.559 . . . . 14.01 110.935 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 28.3 t80 -61.43 -43.76 98.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.278 -0.419 . . . . 20.01 110.58 179.706 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -68.77 -43.46 75.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 26.39 110.581 179.746 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 73' ' ' THR . . . . . 0.937 HG23 HD22 ' D' ' 58' ' ' LEU . 88.9 m -57.87 -55.47 34.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.208 -0.451 . . . . 24.97 110.84 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 74' ' ' LEU . . . . . 0.599 HD23 HD12 ' B' ' 77' ' ' LEU . 85.3 mt -54.06 -42.11 68.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 23.7 110.705 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.03 -42.33 60.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 25.12 110.699 179.8 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 76' ' ' ASP . . . . . 0.439 ' HA ' ' CD ' ' B' ' 79' ' ' LYS . 8.4 m-20 -80.05 -23.85 41.09 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.962 -0.563 . . . . 28.03 110.982 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.599 HD12 HD23 ' B' ' 74' ' ' LEU . 26.4 mt -69.66 -35.04 74.82 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.215 -0.448 . . . . 28.91 111.13 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 78' ' ' TYR . . . . . 0.505 ' CG ' ' HB1' ' A' ' 55' ' ' ALA . 24.3 m-85 -81.18 -58.56 3.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.304 -0.407 . . . . 31.3 111.08 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 79' ' ' LYS . . . . . 0.439 ' CD ' ' HA ' ' B' ' 76' ' ' ASP . 1.5 pttt . . . . . 0 C--N 1.331 -0.235 0 CA-C-N 116.263 -0.426 . . . . 42.95 111.034 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.156 0 CA-C-O 120.9 0.381 . . . . 32.76 110.578 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -67.6 -55.93 11.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.929 -0.578 . . . . 28.61 110.401 179.596 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.37 -42.59 91.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.865 -0.607 . . . . 32.49 110.386 179.539 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 58' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' C' ' 58' ' ' LEU . 14.8 mt -57.72 -47.39 82.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.829 -0.623 . . . . 24.6 110.669 179.664 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.74 -38.61 56.05 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.105 -0.498 . . . . 22.12 110.857 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.97 -28.57 64.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 24.38 110.631 179.825 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -78.78 -40.03 34.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 26.13 110.716 179.737 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 53.9 mm-40 -67.03 -40.21 87.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.01 -0.541 . . . . 24.01 110.451 179.638 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 63' ' ' SER . . . . . 0.42 ' HB2' ' CG ' ' D' ' 67' ' ' LYS . 4.9 p -62.86 -38.38 90.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.087 -0.506 . . . . 16.33 110.474 179.687 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 64' ' ' GLU . . . . . 0.411 ' O ' ' HG2' ' C' ' 67' ' ' LYS . 1.9 mm-40 -60.33 -37.54 80.94 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.115 -0.493 . . . . 21.52 110.772 179.795 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 65' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.75 -34.2 77.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 14.53 110.782 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 66' ' ' VAL . . . . . 0.444 ' O ' HG23 ' C' ' 70' ' ' VAL . 48.0 t -81.84 -33.39 11.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 12.35 111.66 -179.755 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 67' ' ' LYS . . . . . 0.411 ' HG2' ' O ' ' C' ' 64' ' ' GLU . 14.0 ptmt -74.18 -30.08 62.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.93 0.395 . . . . 18.82 110.317 179.832 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 68' ' ' LYS . . . . . . . . . . . . . 13.7 ttmt -74.7 -44.25 51.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.916 -0.584 . . . . 16.11 110.434 179.6 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 69' ' ' MET . . . . . 0.431 ' HG2' ' O ' ' C' ' 66' ' ' VAL . 6.3 ptt? -63.28 -37.44 87.25 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.239 -0.437 . . . . 6.89 110.233 179.467 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 70' ' ' VAL . . . . . 0.444 HG23 ' O ' ' C' ' 66' ' ' VAL . 48.0 t -70.81 -40.12 76.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.997 -0.547 . . . . 6.6 110.298 179.28 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 71' ' ' PHE . . . . . 0.426 ' O ' ' CB ' ' C' ' 75' ' ' LYS . 66.5 t80 -54.26 -59.73 4.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 8.15 110.168 179.485 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -53.2 -46.09 68.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.268 -0.424 . . . . 10.03 110.511 179.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 73' ' ' THR . . . . . 0.515 HG21 ' SD ' ' A' ' 69' ' ' MET . 18.1 m -60.83 -70.28 0.19 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 14.48 110.209 179.586 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 74' ' ' LEU . . . . . 0.737 HD12 ' HB2' ' D' ' 62' ' ' GLN . 15.3 mt -51.43 -35.42 39.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.066 -0.515 . . . . 17.04 110.949 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 75' ' ' LYS . . . . . 0.426 ' CB ' ' O ' ' C' ' 71' ' ' PHE . 8.3 tttt -55.76 -68.4 0.21 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.204 -0.453 . . . . 17.14 110.218 179.465 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 76' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.13 -31.38 72.5 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.723 -0.671 . . . . 14.66 110.794 179.534 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 77' ' ' LEU . . . . . 0.723 ' O ' HD12 ' C' ' 77' ' ' LEU . 1.7 tp -64.65 -46.28 83.18 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.354 -0.384 . . . . 20.35 110.53 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 78' ' ' TYR . . . . . 0.537 ' CD1' HD11 ' B' ' 77' ' ' LEU . 21.2 m-30 -71.32 -23.21 61.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 23.5 110.641 179.568 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 1.1 tppp? -74.51 -29.18 61.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.298 -0.41 . . . . 28.61 110.491 179.525 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 2.2 mttm -67.94 -36.52 80.28 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.149 -0.478 . . . . 26.99 110.832 179.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 81' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.081 -0.509 . . . . 32.48 110.953 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.733 0.302 . . . . 35.4 111.109 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' D' D ' 55' ' ' ALA . . . . . . . . . . . . . . . -52.06 -43.06 63.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.943 0.401 . . . . 33.53 110.82 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -71.87 -49.41 38.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.055 -0.52 . . . . 30.26 110.538 179.647 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 57' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -54.96 -35.13 63.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 33.3 110.516 179.596 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 58' ' ' LEU . . . . . 0.937 HD22 HG23 ' B' ' 73' ' ' THR . 8.5 mt -65.37 -60.6 2.8 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.008 -0.542 . . . . 21.16 110.747 179.837 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 59' ' ' ALA . . . . . . . . . . . . . . . -46.21 -32.41 3.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.919 -0.582 . . . . 17.27 111.091 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 60' ' ' ASP . . . . . . . . . . . . . 46.9 t0 -65.23 -44.2 88.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.095 -0.502 . . . . 19.42 110.481 179.649 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 61' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 -65.84 -35.16 79.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 13.37 110.5 179.617 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 62' ' ' GLN . . . . . 0.737 ' HB2' HD12 ' C' ' 74' ' ' LEU . 2.9 mm-40 -70.22 -46.5 64.39 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.86 -0.609 . . . . 13.31 110.513 179.643 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 63' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.35 -60.35 3.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.087 -0.506 . . . . 15.48 110.652 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 64' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -51.2 -33.17 26.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.26 -0.427 . . . . 16.27 110.422 179.658 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.22 -49.18 62.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.994 -0.548 . . . . 7.97 110.424 179.492 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 66' ' ' VAL . . . . . 0.653 HG23 ' O ' ' D' ' 62' ' ' GLN . 27.4 t -64.2 -32.84 59.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.169 -0.469 . . . . 7.96 111.018 179.837 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 67' ' ' LYS . . . . . 0.42 ' CG ' ' HB2' ' C' ' 63' ' ' SER . 0.9 OUTLIER -59.57 -60.31 4.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.05 -0.523 . . . . 20.49 110.873 179.939 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' D' D ' 68' ' ' LYS . . . . . . . . . . . . . 20.1 tttt -54.0 -34.21 59.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.425 . . . . 14.27 110.662 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 69' ' ' MET . . . . . 0.617 ' HE2' HG13 ' D' ' 66' ' ' VAL . 47.0 ttp -65.44 -49.29 69.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.063 -0.517 . . . . 11.97 110.569 179.632 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 70' ' ' VAL . . . . . . . . . . . . . 93.6 t -74.85 -24.39 18.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.953 -0.567 . . . . 13.97 110.991 179.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 28.5 t80 -61.38 -43.84 98.17 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.3 -0.409 . . . . 21.12 110.55 179.688 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -68.73 -43.38 76.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.066 -0.515 . . . . 25.38 110.73 179.753 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 73' ' ' THR . . . . . 0.912 HG23 HD22 ' B' ' 58' ' ' LEU . 87.8 m -57.99 -55.4 35.35 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.162 -0.472 . . . . 20.29 110.826 179.81 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 74' ' ' LEU . . . . . 0.604 HD23 HD12 ' D' ' 77' ' ' LEU . 85.4 mt -54.01 -42.24 68.88 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.138 -0.483 . . . . 24.79 110.746 179.83 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 75' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -50.86 -42.3 58.75 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.17 -0.468 . . . . 30.39 110.755 179.78 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 76' ' ' ASP . . . . . 0.439 ' HA ' ' CD ' ' D' ' 79' ' ' LYS . 8.5 m-20 -79.96 -24.23 41.12 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.99 -0.55 . . . . 30.79 111.023 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 77' ' ' LEU . . . . . 0.604 HD12 HD23 ' D' ' 74' ' ' LEU . 26.3 mt -69.31 -35.24 75.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.138 -0.483 . . . . 29.23 111.06 -179.848 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 78' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -81.13 -58.26 3.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.275 -0.421 . . . . 34.48 111.156 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 79' ' ' LYS . . . . . 0.439 ' CD ' ' HA ' ' D' ' 76' ' ' ASP . 1.5 pttt . . . . . 0 C--N 1.331 -0.237 0 CA-C-N 116.229 -0.442 . . . . 38.84 111.008 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.142 0 CA-C-O 120.914 0.388 . . . . 35.57 110.785 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 77.3 tt0 -62.48 -51.23 68.28 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.135 -0.484 . . . . 30.74 110.437 179.598 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 2.7 ttp180 -64.11 -46.88 82.25 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.875 -0.602 . . . . 38.76 110.386 179.587 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' A' ' 58' ' ' LEU . 14.6 mt -53.95 -46.41 71.57 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.881 -0.6 . . . . 27.07 110.551 179.581 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.65 -41.91 61.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.07 -0.514 . . . . 20.85 110.609 179.701 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -66.1 -32.23 73.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.888 -0.596 . . . . 20.2 110.515 179.617 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -68.86 -45.87 69.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.079 -0.509 . . . . 22.45 110.615 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 38.4 mm-40 -63.68 -38.11 89.87 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.029 -0.532 . . . . 24.87 110.487 179.645 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.7 m -62.48 -40.39 96.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.02 -0.537 . . . . 17.11 110.543 179.642 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -59.1 -36.59 75.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.019 -0.537 . . . . 25.96 110.6 179.703 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.401 ' O ' ' HG3' ' A' ' 68' ' ' LYS . 1.1 mt -63.8 -41.35 97.93 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.028 -0.533 . . . . 17.26 110.74 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 36.9 t -74.71 -45.36 44.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 14.79 110.71 179.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.7 tttm -58.5 -56.37 23.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.007 -0.542 . . . . 11.6 110.57 179.647 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.401 ' HG3' ' O ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -55.39 -31.28 61.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.263 -0.426 . . . . 12.48 110.483 179.76 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.506 ' HE2' HG21 ' C' ' 73' ' ' THR . 66.5 ttp -69.62 -39.18 77.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.038 -0.528 . . . . 7.66 110.665 179.709 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 70.2 t -74.24 -35.74 41.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.05 -0.523 . . . . 9.26 110.869 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.43 ' O ' ' CB ' ' A' ' 75' ' ' LYS . 56.3 t80 -56.25 -63.68 1.11 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.4 -0.364 . . . . 12.81 110.517 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -51.05 -40.32 58.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.37 -0.377 . . . . 12.67 110.643 179.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.587 HG21 ' HE2' ' C' ' 69' ' ' MET . 21.7 m -66.44 -73.34 0.13 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.242 -0.435 . . . . 12.11 110.385 179.732 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.659 HD12 ' HB2' ' B' ' 62' ' ' GLN . 17.4 mt -49.57 -36.85 25.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.035 -0.53 . . . . 13.87 111.028 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.43 ' CB ' ' O ' ' A' ' 71' ' ' PHE . 10.4 tttt -57.32 -67.51 0.32 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.192 0.52 . . . . 13.74 109.971 179.332 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.16 -26.89 69.02 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.558 -0.746 . . . . 17.03 110.786 179.699 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.615 ' C ' HD12 ' A' ' 77' ' ' LEU . 0.6 OUTLIER -68.21 -59.75 2.98 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.43 -0.35 . . . . 21.29 110.437 179.831 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.842 ' OH ' HG13 ' D' ' 70' ' ' VAL . 20.0 m-85 -60.21 -24.49 64.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.881 0.372 . . . . 25.41 110.38 179.372 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 8.4 tttt -66.11 -35.62 80.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 25.48 110.39 179.571 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.95 -30.36 69.64 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.004 -0.544 . . . . 27.65 110.888 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.147 -0.478 . . . . 33.8 110.879 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.528 0.122 0 CA-C-O 120.641 0.258 . . . . 33.46 111.454 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -48.96 -39.02 24.81 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.908 0.385 . . . . 30.4 111.211 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -77.48 -48.27 17.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.146 -0.479 . . . . 31.05 110.686 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 20.2 mmm180 -54.02 -35.71 62.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.015 0.436 . . . . 27.31 110.388 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . 0.905 HD22 HG23 ' D' ' 73' ' ' THR . 13.3 mt -65.59 -63.86 1.0 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.916 -0.584 . . . . 22.52 110.842 179.814 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -46.69 -27.39 1.16 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.836 -0.62 . . . . 19.59 111.326 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.02 -60.75 2.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 20.08 110.92 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -60.11 -24.43 64.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.308 -0.406 . . . . 11.68 110.628 179.715 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . 0.693 ' O ' HG23 ' B' ' 66' ' ' VAL . 2.4 mm-40 -72.79 -43.99 62.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.099 -0.5 . . . . 11.4 111.011 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 1.4 m -64.39 -59.33 4.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.331 -0.395 . . . . 17.0 110.817 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -48.96 -33.41 10.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.47 . . . . 16.54 110.934 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.97 -44.0 86.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.056 -0.52 . . . . 10.34 110.898 179.77 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . 0.693 HG23 ' O ' ' B' ' 62' ' ' GLN . 3.4 t -62.99 -35.24 70.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.09 -0.505 . . . . 8.45 111.392 -179.821 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.56 -54.3 47.12 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.268 -0.424 . . . . 15.71 110.982 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 14.4 tttt -54.43 -35.82 63.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.304 -0.407 . . . . 9.6 111.005 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 69' ' ' MET . . . . . 0.46 ' HE1' ' HB3' ' D' ' 62' ' ' GLN . 40.1 ttp -68.87 -50.93 45.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 11.25 110.828 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.79 HG13 ' OH ' ' C' ' 78' ' ' TYR . 58.7 t -75.02 -20.04 16.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 11.02 111.367 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -66.63 -43.99 83.2 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.884 0.373 . . . . 18.27 110.689 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -68.65 -43.26 76.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 23.83 110.707 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 73' ' ' THR . . . . . 0.855 HG23 HD22 ' D' ' 58' ' ' LEU . 55.8 m -56.16 -55.94 27.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 23.62 110.935 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 74' ' ' LEU . . . . . 0.524 ' HA ' HD12 ' B' ' 77' ' ' LEU . 24.5 mt -49.96 -41.09 45.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.434 . . . . 27.35 110.925 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.63 -47.03 63.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.968 0.414 . . . . 29.21 110.561 179.773 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.93 -32.09 67.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.907 -0.588 . . . . 28.84 110.532 179.675 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.531 HD11 ' CD1' ' C' ' 78' ' ' TYR . 20.3 mt -61.51 -53.19 59.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.972 -0.558 . . . . 28.69 110.684 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -73.94 -36.56 64.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.082 -0.508 . . . . 34.3 110.707 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.083 -0.508 . . . . 40.06 111.043 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.877 0.37 . . . . 31.2 110.753 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 77.6 tt0 -62.92 -51.04 68.47 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.232 -0.44 . . . . 28.26 110.407 179.676 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 57' ' ' ARG . . . . . . . . . . . . . 2.8 ttp180 -64.21 -46.76 82.48 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.873 -0.603 . . . . 28.02 110.394 179.537 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 58' ' ' LEU . . . . . 0.428 HD23 ' HA ' ' C' ' 58' ' ' LEU . 14.7 mt -54.02 -46.6 71.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.815 -0.63 . . . . 30.02 110.571 179.583 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.42 -42.0 61.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 25.02 110.677 179.634 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 27.8 t0 -66.07 -32.18 73.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.923 -0.58 . . . . 25.78 110.518 179.583 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -68.83 -45.81 70.19 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.085 -0.507 . . . . 26.64 110.611 179.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 62' ' ' GLN . . . . . 0.403 ' HA ' HD12 ' C' ' 65' ' ' LEU . 38.4 mm-40 -63.79 -37.88 89.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.0 -0.546 . . . . 19.03 110.524 179.657 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 63' ' ' SER . . . . . . . . . . . . . 3.6 m -62.65 -40.36 96.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.021 -0.536 . . . . 16.14 110.493 179.608 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -59.12 -36.63 75.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 15.39 110.591 179.702 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 65' ' ' LEU . . . . . 0.405 ' O ' ' HG3' ' C' ' 68' ' ' LYS . 1.2 mt -63.6 -41.49 98.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.079 -0.51 . . . . 17.73 110.765 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 66' ' ' VAL . . . . . . . . . . . . . 38.5 t -74.54 -45.53 45.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 9.78 110.739 179.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 67' ' ' LYS . . . . . . . . . . . . . 13.4 tttm -58.61 -56.01 27.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.972 -0.558 . . . . 17.11 110.582 179.752 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 68' ' ' LYS . . . . . 0.405 ' HG3' ' O ' ' C' ' 65' ' ' LEU . 0.0 OUTLIER -55.59 -31.55 62.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 20.04 110.387 179.683 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' C' C ' 69' ' ' MET . . . . . 0.587 ' HE2' HG21 ' A' ' 73' ' ' THR . 66.5 ttp -69.46 -39.2 77.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.086 -0.506 . . . . 8.84 110.631 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 70' ' ' VAL . . . . . 0.402 HG13 ' HG ' ' C' ' 74' ' ' LEU . 74.2 t -74.07 -35.97 43.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.075 -0.511 . . . . 6.57 110.933 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 71' ' ' PHE . . . . . 0.422 ' O ' ' CB ' ' C' ' 75' ' ' LYS . 56.0 t80 -56.03 -63.9 1.03 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.395 -0.366 . . . . 17.87 110.569 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -50.97 -40.33 57.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.352 -0.385 . . . . 11.59 110.623 179.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 73' ' ' THR . . . . . 0.506 HG21 ' HE2' ' A' ' 69' ' ' MET . 22.3 m -66.54 -73.32 0.14 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.295 -0.412 . . . . 11.49 110.393 179.652 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 74' ' ' LEU . . . . . 0.624 HD12 ' HB2' ' D' ' 62' ' ' GLN . 16.6 mt -49.51 -36.99 24.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 18.55 110.977 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 75' ' ' LYS . . . . . 0.422 ' CB ' ' O ' ' C' ' 71' ' ' PHE . 10.4 tttt -57.21 -67.48 0.32 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.228 0.537 . . . . 21.12 110.055 179.355 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 76' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.16 -26.84 69.0 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.465 -0.789 . . . . 16.22 110.804 179.677 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 77' ' ' LEU . . . . . 0.608 HD12 ' C ' ' C' ' 77' ' ' LEU . 0.6 OUTLIER -68.39 -59.65 3.02 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.309 -0.405 . . . . 19.29 110.389 179.938 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' C' C ' 78' ' ' TYR . . . . . 0.79 ' OH ' HG13 ' B' ' 70' ' ' VAL . 20.0 m-85 -60.17 -24.61 64.89 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.887 0.375 . . . . 26.22 110.369 179.391 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 8.3 tttt -65.91 -35.7 81.35 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.06 -0.518 . . . . 27.3 110.439 179.595 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.94 -30.25 69.51 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.977 -0.556 . . . . 30.62 110.942 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.136 -0.484 . . . . 34.06 110.819 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.529 0.152 0 CA-C-O 120.582 0.23 . . . . 32.82 111.426 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 55' ' ' ALA . . . . . . . . . . . . . . . -49.06 -39.09 26.27 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.853 0.359 . . . . 32.3 111.213 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -77.37 -48.3 17.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.489 . . . . 30.21 110.725 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 57' ' ' ARG . . . . . . . . . . . . . 20.2 mmm180 -53.94 -35.7 62.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.284 -0.416 . . . . 22.8 110.418 179.72 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 58' ' ' LEU . . . . . 0.855 HD22 HG23 ' B' ' 73' ' ' THR . 13.6 mt -65.63 -63.65 1.04 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.885 -0.598 . . . . 18.16 110.73 179.845 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 59' ' ' ALA . . . . . . . . . . . . . . . -46.8 -27.59 1.26 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.841 -0.618 . . . . 18.79 111.35 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 60' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.73 -61.02 1.99 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.174 -0.466 . . . . 24.89 110.767 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 61' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -59.94 -24.43 64.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 16.9 110.707 179.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 62' ' ' GLN . . . . . 0.698 ' O ' HG23 ' D' ' 66' ' ' VAL . 2.4 mm-40 -72.64 -43.89 62.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.096 -0.502 . . . . 15.17 110.969 179.819 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 63' ' ' SER . . . . . . . . . . . . . 1.4 m -64.89 -58.79 5.23 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.348 -0.387 . . . . 13.06 110.992 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 64' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -49.33 -33.33 13.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 7.8 110.811 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.13 -44.14 85.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.007 -0.542 . . . . 5.86 110.841 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 66' ' ' VAL . . . . . 0.698 HG23 ' O ' ' D' ' 62' ' ' GLN . 3.4 t -62.9 -35.12 69.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 5.85 111.411 -179.787 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 67' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.68 -54.23 47.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.238 -0.437 . . . . 14.14 111.047 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 68' ' ' LYS . . . . . . . . . . . . . 14.4 tttt -54.46 -35.78 63.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.349 -0.387 . . . . 19.01 111.005 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 69' ' ' MET . . . . . 0.45 ' HE1' ' HB3' ' B' ' 62' ' ' GLN . 40.5 ttp -68.73 -50.89 46.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.181 -0.463 . . . . 13.42 110.874 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 70' ' ' VAL . . . . . 0.842 HG13 ' OH ' ' A' ' 78' ' ' TYR . 58.5 t -74.97 -20.38 16.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 15.68 111.464 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 23.2 t80 -66.21 -44.21 84.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.889 0.376 . . . . 25.02 110.649 179.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -68.52 -43.47 76.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.097 -0.502 . . . . 29.17 110.749 179.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 73' ' ' THR . . . . . 0.905 HG23 HD22 ' B' ' 58' ' ' LEU . 55.5 m -55.92 -55.89 27.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.102 -0.499 . . . . 22.58 110.983 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 74' ' ' LEU . . . . . 0.523 ' HA ' HD12 ' D' ' 77' ' ' LEU . 24.4 mt -50.13 -41.01 47.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 21.24 111.001 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.71 -46.64 63.98 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.303 -0.408 . . . . 26.88 110.58 179.739 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 76' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.18 -32.16 66.58 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.991 -0.549 . . . . 31.43 110.591 179.628 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 77' ' ' LEU . . . . . 0.553 HD11 ' CD1' ' A' ' 78' ' ' TYR . 20.3 mt -61.46 -53.22 59.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.985 -0.552 . . . . 30.81 110.705 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 78' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -73.83 -36.53 64.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.066 -0.515 . . . . 32.07 110.774 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.057 -0.52 . . . . 39.39 111.015 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.728 0.299 . . . . 30.61 111.093 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -66.12 -53.21 40.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.361 -0.381 . . . . 27.62 110.657 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 72.0 mtt-85 -62.46 -45.72 91.78 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.069 -0.514 . . . . 26.59 110.47 179.606 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.45 ' HA ' HD23 ' A' ' 58' ' ' LEU . 13.0 mt -53.75 -49.14 68.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.721 -0.672 . . . . 27.93 110.755 179.681 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -52.23 -40.83 62.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.171 -0.468 . . . . 24.32 110.775 179.714 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -71.4 -27.71 63.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.073 -0.512 . . . . 26.63 110.54 179.638 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -76.03 -51.47 12.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.034 -0.53 . . . . 27.31 110.673 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.443 ' HB2' HD13 ' B' ' 74' ' ' LEU . 63.0 mm-40 -55.08 -46.38 75.44 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.879 -0.6 . . . . 19.39 110.7 179.812 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 20.2 p -61.96 -42.4 99.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.217 -0.447 . . . . 15.76 110.507 179.649 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -52.69 -36.26 56.86 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.121 -0.491 . . . . 16.8 110.361 179.549 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.6 mt -67.71 -41.55 83.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.996 -0.547 . . . . 16.28 110.421 179.539 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 44.7 t -67.15 -41.51 87.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.058 -0.519 . . . . 9.74 110.707 179.511 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -63.7 -45.85 88.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.022 -0.536 . . . . 18.56 110.549 179.737 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 31.2 ttpt -58.98 -35.7 73.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.104 -0.498 . . . . 21.38 110.487 179.702 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 30.9 ttp -67.41 -39.54 85.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.001 -0.545 . . . . 8.24 110.632 179.665 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.462 HG21 HG21 ' B' ' 66' ' ' VAL . 94.8 t -71.37 -42.59 73.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.054 -0.521 . . . . 5.39 110.949 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.482 ' CZ ' ' HD3' ' A' ' 75' ' ' LYS . 59.2 t80 -51.55 -62.98 1.29 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.833 0.349 . . . . 15.43 110.459 179.801 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -51.23 -43.27 61.42 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.232 -0.44 . . . . 8.27 110.631 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 20.6 m -66.67 -71.15 0.21 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.471 . . . . 12.78 110.414 179.668 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.485 ' HB3' ' CE2' ' A' ' 78' ' ' TYR . 15.6 mt -48.32 -36.09 13.62 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.13 -0.486 . . . . 18.96 110.971 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.482 ' HD3' ' CZ ' ' A' ' 71' ' ' PHE . 0.1 OUTLIER -56.81 -66.37 0.46 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 22.64 110.185 179.555 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -64.89 -28.4 69.51 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.712 -0.676 . . . . 15.5 110.932 179.742 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.612 ' O ' HD12 ' A' ' 77' ' ' LEU . 0.9 OUTLIER -66.86 -57.7 6.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.281 -0.418 . . . . 19.41 110.548 179.925 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.485 ' CE2' ' HB3' ' A' ' 74' ' ' LEU . 22.1 m-85 -61.54 -25.53 67.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.451 . . . . 25.94 110.65 179.831 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 11.7 mmtt -71.12 -30.01 65.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 27.17 110.702 179.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.14 -36.34 72.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.13 -0.486 . . . . 29.99 110.988 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 33.82 110.876 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.457 -0.088 0 CA-C-O 120.86 0.362 . . . . 33.53 110.76 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.97 -40.09 72.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.081 -0.509 . . . . 32.99 111.071 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . 0.403 ' HG2' ' HD2' ' A' ' 75' ' ' LYS . 1.7 mt-10 -68.71 -42.61 77.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 30.9 110.784 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 11.1 mtm180 -62.94 -33.98 76.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 23.12 110.753 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . 0.926 HD13 ' CG2' ' D' ' 73' ' ' THR . 91.9 mt -71.23 -51.38 24.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.098 -0.501 . . . . 18.29 110.734 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 59' ' ' ALA . . . . . 0.414 ' HB2' ' HA ' ' A' ' 75' ' ' LYS . . . -51.0 -31.75 19.07 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.975 -0.557 . . . . 18.88 111.096 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 60' ' ' ASP . . . . . 0.497 ' HA ' ' HG ' ' B' ' 63' ' ' SER . 63.0 t0 -81.41 -51.71 8.03 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.189 -0.459 . . . . 22.87 110.927 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -59.05 -41.57 88.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.19 -0.459 . . . . 16.49 110.789 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . 0.447 ' HB3' ' CD1' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -73.34 -42.05 62.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 15.22 111.131 -179.933 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 63' ' ' SER . . . . . 0.497 ' HG ' ' HA ' ' B' ' 60' ' ' ASP . 96.6 p -65.66 -55.76 15.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.414 -0.357 . . . . 12.94 110.953 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -50.21 -37.12 33.72 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.263 -0.426 . . . . 9.47 110.696 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.97 -44.5 94.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.065 -0.516 . . . . 5.5 110.559 179.673 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . 0.462 HG21 HG21 ' A' ' 70' ' ' VAL . 56.1 t -56.06 -32.67 34.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.276 -0.42 . . . . 6.57 110.782 179.647 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.81 -54.29 44.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.074 -0.512 . . . . 16.92 110.823 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 6.3 tttt -57.99 -34.54 70.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.343 -0.389 . . . . 18.66 110.651 179.763 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 69' ' ' MET . . . . . . . . . . . . . 25.0 ttp -70.46 -49.93 43.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.002 -0.544 . . . . 12.94 110.763 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.417 HG13 ' OH ' ' C' ' 78' ' ' TYR . 98.4 t -74.37 -22.74 17.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 15.38 110.9 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -64.52 -41.76 96.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.361 -0.382 . . . . 25.13 110.589 179.754 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -69.81 -43.13 72.69 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.193 -0.458 . . . . 27.83 110.646 179.722 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 73' ' ' THR . . . . . 0.909 ' CG2' HD13 ' D' ' 58' ' ' LEU . 90.9 m -54.76 -56.39 19.76 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.144 -0.48 . . . . 21.13 110.815 179.764 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 74' ' ' LEU . . . . . 0.607 ' HA ' HD12 ' B' ' 77' ' ' LEU . 10.0 mt -54.27 -41.03 68.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.291 -0.413 . . . . 21.16 110.696 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.72 -41.05 55.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 27.74 110.656 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.19 -26.11 39.37 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.987 -0.552 . . . . 30.55 110.707 179.808 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.607 HD12 ' HA ' ' B' ' 74' ' ' LEU . 27.9 mt -68.33 -36.2 78.93 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.067 -0.515 . . . . 30.3 110.936 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -81.72 -61.59 1.88 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 32.57 110.971 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 39.43 111.107 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.741 0.305 . . . . 35.3 111.134 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -65.9 -53.37 40.37 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.981 0.42 . . . . 30.43 110.658 179.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 57' ' ' ARG . . . . . . . . . . . . . 72.1 mtt-85 -62.37 -45.75 91.75 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.032 -0.531 . . . . 37.32 110.411 179.697 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 58' ' ' LEU . . . . . 0.461 ' HA ' HD23 ' C' ' 58' ' ' LEU . 13.1 mt -53.78 -49.04 69.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.841 -0.618 . . . . 28.03 110.72 179.771 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -52.39 -40.53 62.19 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.123 -0.49 . . . . 20.41 110.833 179.751 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -71.68 -27.79 63.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.494 . . . . 18.37 110.456 179.718 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -75.88 -51.58 12.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.03 -0.532 . . . . 20.65 110.68 179.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 62' ' ' GLN . . . . . 0.52 ' HB2' HD13 ' D' ' 74' ' ' LEU . 63.1 mm-40 -54.99 -46.44 75.15 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.924 -0.58 . . . . 23.81 110.61 179.809 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 63' ' ' SER . . . . . . . . . . . . . 19.6 p -61.91 -42.25 98.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.425 . . . . 17.94 110.453 179.685 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -52.94 -36.13 59.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 26.04 110.338 179.588 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 65' ' ' LEU . . . . . . . . . . . . . 3.6 mt -68.0 -41.28 82.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.027 -0.533 . . . . 18.51 110.4 179.616 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 66' ' ' VAL . . . . . . . . . . . . . 44.9 t -67.43 -41.38 86.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.109 -0.496 . . . . 14.82 110.608 179.549 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 67' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -63.7 -46.0 87.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.983 -0.553 . . . . 8.82 110.497 179.668 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 68' ' ' LYS . . . . . . . . . . . . . 31.1 ttpt -58.79 -35.79 73.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 13.16 110.385 179.693 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 69' ' ' MET . . . . . . . . . . . . . 30.6 ttp -67.47 -39.5 85.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.035 -0.529 . . . . 8.1 110.624 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 70' ' ' VAL . . . . . 0.477 HG21 HG21 ' D' ' 66' ' ' VAL . 93.0 t -71.46 -42.3 72.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.065 -0.516 . . . . 9.45 110.98 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 71' ' ' PHE . . . . . 0.477 ' CZ ' ' HD3' ' C' ' 75' ' ' LYS . 59.4 t80 -51.81 -62.78 1.42 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.459 -0.337 . . . . 15.22 110.512 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -51.27 -43.23 61.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.279 -0.419 . . . . 13.11 110.641 179.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 73' ' ' THR . . . . . . . . . . . . . 20.7 m -66.75 -71.2 0.21 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 10.65 110.389 179.691 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 74' ' ' LEU . . . . . 0.487 ' HB3' ' CE2' ' C' ' 78' ' ' TYR . 15.6 mt -48.16 -36.16 13.02 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.076 -0.511 . . . . 13.05 111.04 179.822 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 75' ' ' LYS . . . . . 0.477 ' HD3' ' CZ ' ' C' ' 71' ' ' PHE . 0.1 OUTLIER -56.76 -66.32 0.46 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.185 -0.462 . . . . 14.45 110.2 179.507 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' C' C ' 76' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -65.0 -28.49 69.54 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.686 -0.688 . . . . 17.71 110.855 179.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 77' ' ' LEU . . . . . 0.615 ' O ' HD12 ' C' ' 77' ' ' LEU . 0.9 OUTLIER -66.77 -57.64 6.67 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.344 -0.389 . . . . 21.19 110.551 179.916 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' C' C ' 78' ' ' TYR . . . . . 0.487 ' CE2' ' HB3' ' C' ' 74' ' ' LEU . 22.2 m-85 -61.63 -25.54 67.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 25.87 110.68 179.83 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 11.7 mmtt -71.19 -29.85 65.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 25.87 110.617 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.25 -36.26 71.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 28.6 111.031 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 33.52 110.789 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.863 0.363 . . . . 33.12 110.803 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.08 -39.94 72.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.485 . . . . 29.83 111.089 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -68.9 -42.55 76.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.102 -0.499 . . . . 33.85 110.824 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 57' ' ' ARG . . . . . . . . . . . . . 11.0 mtm180 -62.91 -34.19 76.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.071 -0.513 . . . . 25.64 110.746 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 58' ' ' LEU . . . . . 0.909 HD13 ' CG2' ' B' ' 73' ' ' THR . 91.6 mt -70.93 -51.9 23.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.495 . . . . 22.38 110.749 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 59' ' ' ALA . . . . . . . . . . . . . . . -50.72 -31.57 16.97 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.836 -0.62 . . . . 20.38 111.119 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 60' ' ' ASP . . . . . 0.484 ' HA ' ' HG ' ' D' ' 63' ' ' SER . 63.2 t0 -81.46 -51.73 7.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.322 -0.399 . . . . 18.69 110.894 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 61' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -59.14 -41.54 88.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 12.16 110.828 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 62' ' ' GLN . . . . . 0.462 ' HB3' ' CD1' ' C' ' 74' ' ' LEU . 0.0 OUTLIER -73.25 -42.13 62.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.451 . . . . 10.78 111.156 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' D' D ' 63' ' ' SER . . . . . 0.484 ' HG ' ' HA ' ' D' ' 60' ' ' ASP . 96.0 p -65.62 -55.68 16.3 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.427 -0.352 . . . . 16.63 110.926 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 64' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -50.43 -36.82 34.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.307 -0.406 . . . . 18.41 110.768 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 65' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.16 -44.35 95.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.023 -0.535 . . . . 9.8 110.511 179.673 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 66' ' ' VAL . . . . . 0.477 HG21 HG21 ' C' ' 70' ' ' VAL . 56.7 t -56.3 -32.43 35.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 8.5 110.769 179.716 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.04 -54.38 42.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.092 -0.504 . . . . 11.2 110.762 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 68' ' ' LYS . . . . . . . . . . . . . 6.3 tttt -57.84 -34.53 69.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.293 -0.412 . . . . 10.19 110.589 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 69' ' ' MET . . . . . . . . . . . . . 25.3 ttp -70.55 -49.97 42.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.037 -0.529 . . . . 11.03 110.772 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 70' ' ' VAL . . . . . 0.465 HG13 ' OH ' ' A' ' 78' ' ' TYR . 96.5 t -74.28 -22.73 18.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 10.66 110.983 179.813 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 87.5 t80 -64.5 -41.99 96.11 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.334 -0.394 . . . . 17.95 110.604 179.757 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -69.75 -42.97 73.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.025 -0.534 . . . . 23.38 110.595 179.739 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 73' ' ' THR . . . . . 0.926 ' CG2' HD13 ' B' ' 58' ' ' LEU . 89.6 m -54.76 -56.55 18.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 24.16 110.865 179.752 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 74' ' ' LEU . . . . . 0.602 ' HA ' HD12 ' D' ' 77' ' ' LEU . 9.9 mt -54.22 -40.85 68.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 27.19 110.755 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.94 -40.72 58.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 28.2 110.637 179.84 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 76' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.45 -25.98 38.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.022 -0.536 . . . . 28.15 110.726 179.69 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 77' ' ' LEU . . . . . 0.602 HD12 ' HA ' ' D' ' 74' ' ' LEU . 28.0 mt -68.56 -36.03 78.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.084 -0.507 . . . . 28.37 110.982 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 78' ' ' TYR . . . . . 0.415 ' OH ' HD13 ' C' ' 58' ' ' LEU . 20.1 m-85 -81.96 -61.42 1.92 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 34.03 110.987 -179.832 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.467 . . . . 42.46 111.147 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.845 0.355 . . . . 31.08 110.915 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -78.52 -50.79 10.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.467 . . . . 27.92 110.579 179.673 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.18 -45.05 94.42 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.901 -0.591 . . . . 28.57 110.464 179.628 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.435 ' HB3' ' CE2' ' B' ' 78' ' ' TYR . 27.9 mt -55.59 -53.28 58.4 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.731 -0.668 . . . . 30.86 110.721 179.769 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -49.76 -34.64 19.74 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.171 -0.468 . . . . 23.98 110.967 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -76.66 -29.03 56.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.093 -0.503 . . . . 24.61 110.676 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -74.36 -59.65 2.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.021 -0.536 . . . . 25.4 110.744 179.749 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.481 ' HB2' HD13 ' B' ' 74' ' ' LEU . 42.3 mm-40 -51.0 -45.62 61.22 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.99 -0.55 . . . . 18.13 110.786 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 26.0 p -60.71 -43.56 97.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.197 -0.456 . . . . 15.96 110.808 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.424 ' HA ' ' HG2' ' A' ' 67' ' ' LYS . 0.6 OUTLIER -57.27 -36.59 71.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.434 . . . . 17.01 110.714 179.88 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.437 HD12 ' HA ' ' A' ' 62' ' ' GLN . 23.6 mt -65.13 -36.63 84.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.429 . . . . 18.67 110.431 179.578 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 58.3 t -70.45 -42.65 78.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.006 -0.543 . . . . 10.05 110.934 179.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.432 ' HG3' ' N ' ' A' ' 68' ' ' LYS . 0.0 OUTLIER -63.99 -28.8 70.06 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.17 -0.468 . . . . 13.95 110.762 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.432 ' N ' ' HG3' ' A' ' 67' ' ' LYS . 0.0 OUTLIER -73.85 -42.88 60.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 22.44 110.292 179.506 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 46.9 ttp -64.75 -46.16 83.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.001 -0.545 . . . . 9.37 110.121 179.353 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -66.98 -42.93 89.34 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 CA-C-N 116.072 -0.513 . . . . 7.38 110.389 179.524 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.406 ' O ' ' HB2' ' A' ' 75' ' ' LYS . 61.4 t80 -47.41 -64.74 0.7 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.892 -0.595 . . . . 19.24 110.596 179.791 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 76.8 m-20 -51.14 -42.29 60.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.318 -0.401 . . . . 13.45 110.506 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 20.4 m -61.05 -66.5 0.52 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 9.98 110.016 179.326 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.776 HD12 ' HB2' ' B' ' 62' ' ' GLN . 12.0 mt -54.32 -33.27 58.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.037 -0.529 . . . . 17.55 110.63 179.529 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.406 ' HB2' ' O ' ' A' ' 71' ' ' PHE . 0.5 OUTLIER -57.97 -61.11 2.78 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.923 -0.58 . . . . 20.18 110.302 179.672 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.88 -31.87 68.68 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.03 -0.532 . . . . 17.4 110.677 179.586 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.545 ' O ' HD12 ' A' ' 77' ' ' LEU . 3.3 tp -65.31 -46.13 81.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.035 -0.53 . . . . 19.76 110.536 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.431 ' OH ' HG13 ' D' ' 70' ' ' VAL . 21.4 m-30 -71.99 -24.65 61.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 26.81 110.629 179.479 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -74.79 -28.31 60.68 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.168 -0.469 . . . . 27.12 110.594 179.673 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 2.9 tptp -67.98 -35.67 78.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.061 -0.518 . . . . 31.23 110.911 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 9.1 p . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 34.63 110.847 179.979 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.878 0.371 . . . . 32.92 110.809 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -54.71 -40.28 69.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 31.14 111.086 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -68.55 -42.94 77.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 32.28 110.71 179.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 49.9 mtt180 -61.21 -37.33 82.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 22.98 110.655 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . 0.825 HD22 HG23 ' D' ' 73' ' ' THR . 16.6 mt -64.57 -61.35 2.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.03 -0.532 . . . . 18.84 110.705 179.789 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -45.4 -29.44 1.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.918 -0.583 . . . . 19.22 110.995 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -73.6 -39.01 64.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.989 -0.551 . . . . 25.42 110.395 179.633 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 61' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' B' ' 58' ' ' LEU . 31.5 mm-40 -70.6 -35.8 73.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 17.53 110.566 179.645 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . 0.918 ' O ' HG23 ' B' ' 66' ' ' VAL . 12.7 mm-40 -69.32 -38.57 78.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.027 -0.533 . . . . 13.95 110.554 179.736 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 63' ' ' SER . . . . . 0.409 ' HB2' ' HB2' ' A' ' 67' ' ' LYS . 0.1 OUTLIER -61.74 -62.09 2.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.086 -0.507 . . . . 13.06 110.68 179.881 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -49.7 -35.31 21.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 8.35 110.694 179.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.07 -48.59 65.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.995 -0.548 . . . . 6.34 110.549 179.74 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . 0.918 HG23 ' O ' ' B' ' 62' ' ' GLN . 21.9 t -64.13 -32.47 57.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.081 -0.509 . . . . 5.29 110.938 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 4.5 tttt -59.53 -59.9 4.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.069 -0.514 . . . . 11.1 110.871 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 1.2 tttp -54.02 -30.48 47.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.353 -0.385 . . . . 18.38 110.646 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 69' ' ' MET . . . . . 0.756 ' HE2' HG13 ' B' ' 66' ' ' VAL . 58.2 ttp -69.05 -52.04 32.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 12.92 110.639 179.799 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.486 HG13 ' OH ' ' C' ' 78' ' ' TYR . 62.9 t -75.73 -23.18 16.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.151 -0.477 . . . . 15.03 111.018 179.756 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -62.8 -44.79 95.22 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.181 -0.463 . . . . 23.87 110.51 179.726 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -67.91 -46.9 70.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.095 -0.502 . . . . 27.5 110.618 179.694 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 73' ' ' THR . . . . . 0.82 HG23 HD22 ' D' ' 58' ' ' LEU . 99.1 m -53.65 -47.93 69.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 23.27 110.672 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 74' ' ' LEU . . . . . 0.481 HD13 ' HB2' ' A' ' 62' ' ' GLN . 20.9 mt -62.43 -38.0 88.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.095 -0.502 . . . . 21.44 110.633 179.827 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -50.7 -42.37 56.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 25.66 110.688 179.779 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -78.93 -28.2 43.75 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.978 -0.555 . . . . 30.17 110.629 179.734 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.469 HD12 ' HA ' ' B' ' 74' ' ' LEU . 38.5 mt -66.53 -46.48 76.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.029 -0.532 . . . . 29.97 110.819 179.787 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 78' ' ' TYR . . . . . 0.435 ' CE2' ' HB3' ' A' ' 58' ' ' LEU . 13.6 m-85 -78.29 -25.58 46.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.111 -0.495 . . . . 31.17 110.937 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 40.47 110.858 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.111 0 CA-C-O 120.821 0.343 . . . . 33.73 110.891 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -78.51 -51.01 10.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 29.31 110.46 179.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.99 -44.96 94.18 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.964 -0.562 . . . . 36.74 110.458 179.688 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 58' ' ' LEU . . . . . 0.492 ' HB3' ' CE2' ' D' ' 78' ' ' TYR . 27.3 mt -55.69 -53.16 59.97 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.785 -0.643 . . . . 24.37 110.812 179.768 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -49.91 -34.66 21.05 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.121 -0.49 . . . . 20.03 111.025 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -76.49 -28.98 56.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.054 -0.521 . . . . 21.21 110.641 179.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -74.43 -59.77 2.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.085 -0.507 . . . . 23.28 110.721 179.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 62' ' ' GLN . . . . . 0.525 ' HB2' HD13 ' D' ' 74' ' ' LEU . 42.2 mm-40 -50.87 -45.45 59.93 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.95 -0.568 . . . . 25.0 110.852 179.775 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 63' ' ' SER . . . . . . . . . . . . . 26.1 p -60.81 -43.73 97.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 16.52 110.763 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 64' ' ' GLU . . . . . 0.424 ' HA ' ' HG2' ' C' ' 67' ' ' LYS . 0.6 OUTLIER -57.19 -36.58 71.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 24.45 110.653 179.919 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' C' C ' 65' ' ' LEU . . . . . 0.445 HD12 ' HA ' ' C' ' 62' ' ' GLN . 23.9 mt -65.27 -36.36 83.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.274 -0.421 . . . . 16.06 110.48 179.658 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 66' ' ' VAL . . . . . . . . . . . . . 57.5 t -70.7 -42.64 77.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.96 -0.564 . . . . 14.23 110.931 179.743 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 67' ' ' LYS . . . . . 0.434 ' HG3' ' N ' ' C' ' 68' ' ' LYS . 0.0 OUTLIER -63.81 -29.18 70.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.458 . . . . 14.89 110.749 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' C' C ' 68' ' ' LYS . . . . . 0.434 ' N ' ' HG3' ' C' ' 67' ' ' LYS . 0.0 OUTLIER -73.6 -42.96 60.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.495 . . . . 12.3 110.305 179.588 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' C' C ' 69' ' ' MET . . . . . . . . . . . . . 46.9 ttp -64.57 -46.31 83.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.027 -0.533 . . . . 7.63 110.138 179.304 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -66.85 -43.13 89.81 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.28 0 CA-C-N 116.024 -0.534 . . . . 8.03 110.401 179.468 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 71' ' ' PHE . . . . . 0.431 ' CE1' ' OD1' ' D' ' 60' ' ' ASP . 60.8 t80 -47.33 -64.75 0.7 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.954 -0.567 . . . . 8.56 110.637 179.758 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -51.08 -42.37 60.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.398 -0.365 . . . . 11.33 110.561 179.738 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 73' ' ' THR . . . . . . . . . . . . . 20.5 m -60.89 -66.67 0.5 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.21 -0.45 . . . . 13.25 110.032 179.307 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 74' ' ' LEU . . . . . 0.789 HD12 ' HB2' ' D' ' 62' ' ' GLN . 12.2 mt -54.04 -33.42 57.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.983 -0.553 . . . . 14.77 110.647 179.456 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 75' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -57.85 -61.22 2.69 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.908 -0.587 . . . . 13.15 110.265 179.771 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 76' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.83 -31.82 68.66 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.952 -0.567 . . . . 16.27 110.719 179.573 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 77' ' ' LEU . . . . . 0.548 ' O ' HD12 ' C' ' 77' ' ' LEU . 3.3 tp -65.32 -46.28 80.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.038 -0.528 . . . . 21.17 110.524 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 78' ' ' TYR . . . . . 0.486 ' OH ' HG13 ' B' ' 70' ' ' VAL . 21.3 m-30 -71.88 -24.85 61.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 23.48 110.556 179.597 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -74.6 -28.37 60.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 30.72 110.587 179.669 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 2.9 tptp -67.99 -35.54 78.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.15 -0.477 . . . . 26.96 110.924 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 81' ' ' THR . . . . . . . . . . . . . 9.0 p . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 32.65 110.858 180.0 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 . . . . . 0 N--CA 1.458 -0.074 0 CA-C-O 120.903 0.382 . . . . 34.98 110.828 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' D' D ' 55' ' ' ALA . . . . . . . . . . . . . . . -54.59 -40.34 68.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.062 -0.517 . . . . 31.72 111.122 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -68.67 -42.71 77.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 32.79 110.724 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 57' ' ' ARG . . . . . . . . . . . . . 49.8 mtt180 -61.43 -37.22 82.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 32.27 110.631 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 58' ' ' LEU . . . . . 0.82 HD22 HG23 ' B' ' 73' ' ' THR . 16.5 mt -64.58 -61.47 2.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.054 -0.521 . . . . 22.46 110.657 179.781 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 59' ' ' ALA . . . . . . . . . . . . . . . -45.18 -29.46 0.95 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.867 -0.606 . . . . 18.92 111.072 179.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 60' ' ' ASP . . . . . 0.431 ' OD1' ' CE1' ' C' ' 71' ' ' PHE . 0.3 OUTLIER -73.45 -39.45 64.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.939 -0.573 . . . . 19.17 110.397 179.547 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' D' D ' 61' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' D' ' 58' ' ' LEU . 32.0 mm-40 -70.4 -35.63 73.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.064 -0.516 . . . . 11.91 110.527 179.651 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 62' ' ' GLN . . . . . 0.899 ' O ' HG23 ' D' ' 66' ' ' VAL . 12.6 mm-40 -69.25 -38.58 78.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 11.63 110.595 179.735 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 63' ' ' SER . . . . . 0.403 ' HB2' ' HB2' ' C' ' 67' ' ' LYS . 0.1 OUTLIER -61.81 -62.2 1.97 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.027 -0.533 . . . . 16.75 110.737 179.873 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' D' D ' 64' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -49.67 -35.19 20.67 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.166 -0.47 . . . . 18.35 110.706 179.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.22 -48.52 64.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.035 -0.53 . . . . 9.83 110.567 179.703 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 66' ' ' VAL . . . . . 0.899 HG23 ' O ' ' D' ' 62' ' ' GLN . 22.0 t -64.11 -32.54 57.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 8.45 111.002 179.785 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 67' ' ' LYS . . . . . . . . . . . . . 4.5 tttt -59.5 -59.79 4.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 17.83 110.877 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 68' ' ' LYS . . . . . . . . . . . . . 1.2 tttp -54.05 -30.4 47.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.36 -0.382 . . . . 10.41 110.658 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 69' ' ' MET . . . . . 0.729 ' HE2' HG13 ' D' ' 66' ' ' VAL . 58.2 ttp -68.97 -52.2 31.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 11.05 110.564 179.79 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 70' ' ' VAL . . . . . 0.431 HG13 ' OH ' ' A' ' 78' ' ' TYR . 59.5 t -75.63 -23.24 16.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.085 -0.507 . . . . 11.69 111.058 179.83 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -62.74 -44.7 95.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.223 -0.444 . . . . 18.55 110.545 179.731 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -68.02 -47.06 69.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.083 -0.508 . . . . 23.9 110.577 179.719 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 73' ' ' THR . . . . . 0.825 HG23 HD22 ' B' ' 58' ' ' LEU . 99.9 m -53.54 -47.86 69.6 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.152 -0.476 . . . . 21.78 110.775 179.806 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 74' ' ' LEU . . . . . 0.525 HD13 ' HB2' ' C' ' 62' ' ' GLN . 20.7 mt -62.44 -37.99 88.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 26.7 110.674 179.741 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 75' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -50.79 -42.32 57.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 29.8 110.688 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 76' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -78.77 -28.44 44.77 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.005 -0.543 . . . . 29.34 110.604 179.645 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 77' ' ' LEU . . . . . 0.47 HD12 ' HA ' ' D' ' 74' ' ' LEU . 38.4 mt -66.38 -46.5 76.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.941 -0.572 . . . . 28.38 110.817 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 78' ' ' TYR . . . . . 0.492 ' CE2' ' HB3' ' C' ' 58' ' ' LEU . 13.4 m-85 -78.25 -25.7 46.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.114 -0.494 . . . . 34.31 110.8 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 79' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 40.15 110.833 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.101 0 CA-C-O 120.919 0.39 . . . . 30.25 110.672 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -63.45 -56.49 15.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.992 -0.549 . . . . 26.39 110.427 179.662 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -65.16 -48.06 74.86 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.884 -0.598 . . . . 26.12 110.298 179.446 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.632 ' C ' HD13 ' A' ' 58' ' ' LEU . 1.7 tm? -53.59 -49.11 68.47 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.758 -0.656 . . . . 26.92 110.591 179.466 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.433 ' N ' HD13 ' A' ' 58' ' ' LEU . . . -55.52 -34.14 64.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.038 -0.528 . . . . 24.78 110.994 179.722 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -60.38 -45.31 93.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 26.02 110.715 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.45 -53.47 50.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 27.36 110.83 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 8.8 mp0 -54.01 -45.48 71.51 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.949 -0.568 . . . . 20.59 110.851 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 49.2 m -59.14 -38.13 78.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 16.32 110.778 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -60.18 -35.49 75.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 18.73 110.869 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 7.9 mt -67.7 -39.49 84.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 15.81 110.78 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 26.1 t -73.21 -44.68 55.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.074 -0.512 . . . . 10.3 111.319 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 71.4 tttt -60.65 -50.5 73.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.349 -0.387 . . . . 19.29 110.68 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 22.9 mtmt -55.9 -32.66 63.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 20.74 110.368 179.521 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 61.0 ttp -67.19 -41.95 85.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.945 -0.57 . . . . 7.72 110.712 179.712 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.434 HG21 HG21 ' B' ' 66' ' ' VAL . 79.4 t -71.53 -44.35 70.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 4.31 111.064 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.427 ' O ' ' CB ' ' A' ' 75' ' ' LYS . 19.6 t80 -50.88 -62.08 1.82 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.5 -0.318 . . . . 12.99 110.65 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -52.53 -42.93 64.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.477 -0.329 . . . . 7.83 110.481 179.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 19.5 m -63.29 -71.44 0.17 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.96 0.41 . . . . 13.78 110.204 179.528 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.765 HD12 ' HB2' ' B' ' 62' ' ' GLN . 14.2 mt -50.33 -37.66 37.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.983 -0.553 . . . . 19.09 110.932 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.427 ' CB ' ' O ' ' A' ' 71' ' ' PHE . 37.0 ttpt -52.43 -67.71 0.23 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.945 -0.571 . . . . 19.43 110.398 179.62 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.89 -28.91 69.29 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.58 -0.736 . . . . 15.14 111.035 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.457 ' HB3' ' HA ' ' A' ' 74' ' ' LEU . 2.7 tp -66.8 -65.79 0.64 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.335 -0.393 . . . . 19.68 110.904 -179.813 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.553 ' CD1' HD11 ' D' ' 77' ' ' LEU . 18.9 m-30 -50.73 -31.72 17.45 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.445 -0.343 . . . . 25.64 110.907 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.33 -24.39 66.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.279 -0.419 . . . . 27.12 110.916 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.98 -47.15 78.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 29.79 111.064 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.457 ' OG1' HD22 ' D' ' 77' ' ' LEU . 49.0 p . . . . . 0 C--N 1.327 -0.406 0 CA-C-N 116.007 -0.542 . . . . 34.3 110.892 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . 0.404 ' O ' ' HG2' ' B' ' 57' ' ' ARG . 16.2 m-20 . . . . . 0 N--CA 1.457 -0.091 0 CA-C-O 120.839 0.352 . . . . 34.58 110.642 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -54.3 -39.8 67.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.073 -0.512 . . . . 33.31 111.013 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -63.79 -62.63 1.52 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 30.16 110.779 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 57' ' ' ARG . . . . . 0.423 ' HG3' ' N ' ' B' ' 58' ' ' LEU . 0.6 OUTLIER -51.0 -39.66 56.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.295 -0.412 . . . . 24.95 110.674 179.881 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . 0.763 HD22 HG23 ' D' ' 73' ' ' THR . 3.9 mt -59.98 -59.84 4.77 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.03 -0.532 . . . . 18.82 110.668 179.783 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -47.33 -35.3 7.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.89 -0.595 . . . . 17.61 110.979 179.796 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 62.6 t0 -60.77 -51.16 70.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.061 -0.518 . . . . 21.97 110.696 179.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -56.68 -35.64 68.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 15.77 110.512 179.643 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . 0.765 ' HB2' HD12 ' A' ' 74' ' ' LEU . 3.2 mm-40 -69.81 -53.17 19.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.97 -0.559 . . . . 14.89 110.625 179.667 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -52.08 -57.84 8.36 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.116 -0.493 . . . . 13.83 110.643 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -51.63 -34.02 35.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 11.77 110.57 179.662 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.48 -42.8 82.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.984 -0.553 . . . . 5.46 110.566 179.683 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . 0.635 HG23 ' O ' ' B' ' 62' ' ' GLN . 3.9 t -65.52 -42.55 93.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.068 -0.515 . . . . 7.31 110.949 179.78 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 2.4 tttt -55.89 -55.92 26.82 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.037 -0.529 . . . . 19.24 110.784 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.36 -35.11 67.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 18.3 110.596 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 69' ' ' MET . . . . . 0.445 ' CE ' ' HB3' ' D' ' 62' ' ' GLN . 32.4 ttp -70.84 -49.69 43.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.981 -0.554 . . . . 12.68 110.805 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 82.2 t -74.18 -21.17 17.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.106 -0.497 . . . . 15.09 111.17 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 81.8 t80 -69.14 -45.18 70.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.385 -0.37 . . . . 24.38 110.693 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -65.15 -41.11 95.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.086 -0.507 . . . . 28.03 110.697 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 73' ' ' THR . . . . . 0.758 HG23 HD22 ' D' ' 58' ' ' LEU . 22.9 m -59.27 -46.64 87.98 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.193 -0.458 . . . . 20.22 110.771 179.81 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 74' ' ' LEU . . . . . 0.778 HD23 HD12 ' B' ' 77' ' ' LEU . 20.6 mt -59.19 -44.57 92.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 21.62 110.781 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 26.4 tttt -51.19 -42.79 61.11 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.298 -0.41 . . . . 28.56 110.549 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -74.83 -32.41 61.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.983 -0.553 . . . . 30.94 110.417 179.607 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.778 HD12 HD23 ' B' ' 74' ' ' LEU . 15.3 mt -61.37 -44.98 96.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.954 -0.566 . . . . 30.38 110.739 179.696 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 78' ' ' TYR . . . . . 0.497 ' CE2' HG22 ' C' ' 81' ' ' THR . 4.6 m-85 -79.62 -40.85 28.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.118 -0.492 . . . . 33.18 110.721 179.758 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 7.6 ttmt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 39.59 110.776 179.891 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.146 0 CA-C-O 120.899 0.381 . . . . 34.81 110.673 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -63.63 -56.35 16.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.053 -0.521 . . . . 29.89 110.371 179.616 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 57' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -65.27 -48.22 73.97 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.888 -0.596 . . . . 37.84 110.219 179.502 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 58' ' ' LEU . . . . . 0.629 HD13 ' C ' ' C' ' 58' ' ' LEU . 1.6 tm? -53.48 -48.98 68.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.761 -0.654 . . . . 28.85 110.549 179.551 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 59' ' ' ALA . . . . . 0.42 ' N ' HD13 ' C' ' 58' ' ' LEU . . . -55.72 -34.15 64.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.075 -0.511 . . . . 21.68 110.936 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -60.38 -45.23 94.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 18.24 110.749 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.41 -53.52 50.01 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.071 -0.513 . . . . 20.32 110.914 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 8.9 mp0 -53.9 -45.57 71.15 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.944 -0.571 . . . . 23.4 110.882 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 63' ' ' SER . . . . . . . . . . . . . 49.4 m -59.01 -38.32 78.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 17.81 110.765 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -60.04 -35.33 74.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.103 -0.499 . . . . 26.49 110.947 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 65' ' ' LEU . . . . . . . . . . . . . 7.7 mt -67.88 -39.69 83.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 19.47 110.701 179.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 66' ' ' VAL . . . . . . . . . . . . . 25.8 t -73.03 -44.83 56.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.136 -0.484 . . . . 14.89 111.188 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 67' ' ' LYS . . . . . 0.4 ' CG ' ' HB3' ' D' ' 63' ' ' SER . 71.5 tttt -60.58 -50.29 74.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.31 -0.405 . . . . 8.29 110.729 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 68' ' ' LYS . . . . . . . . . . . . . 23.2 mtmt -56.07 -32.8 64.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.334 -0.393 . . . . 13.74 110.245 179.578 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 69' ' ' MET . . . . . . . . . . . . . 61.2 ttp -67.05 -41.99 85.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.978 -0.555 . . . . 8.38 110.736 179.796 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 70' ' ' VAL . . . . . 0.426 HG21 HG21 ' D' ' 66' ' ' VAL . 77.0 t -71.55 -44.31 70.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.086 -0.506 . . . . 9.36 110.989 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 71' ' ' PHE . . . . . 0.433 ' O ' ' CB ' ' C' ' 75' ' ' LYS . 19.8 t80 -50.89 -62.2 1.75 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.513 -0.312 . . . . 16.88 110.616 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 47.9 m-20 -52.39 -42.94 64.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.771 0.32 . . . . 15.0 110.497 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 73' ' ' THR . . . . . . . . . . . . . 20.0 m -63.52 -71.44 0.17 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.225 -0.443 . . . . 9.7 110.208 179.531 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 74' ' ' LEU . . . . . 0.726 HD12 ' HB2' ' D' ' 62' ' ' GLN . 15.2 mt -50.3 -37.29 35.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.079 -0.51 . . . . 13.0 110.876 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 75' ' ' LYS . . . . . 0.433 ' CB ' ' O ' ' C' ' 71' ' ' PHE . 37.0 ttpt -52.84 -67.81 0.22 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.008 -0.542 . . . . 15.7 110.423 179.581 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 76' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.84 -28.8 69.25 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.598 -0.728 . . . . 18.44 111.11 179.787 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 77' ' ' LEU . . . . . 0.445 HD12 ' C ' ' C' ' 77' ' ' LEU . 2.7 tp -66.79 -65.8 0.64 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.456 -0.338 . . . . 21.32 110.879 -179.827 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 78' ' ' TYR . . . . . 0.637 ' CD1' HD11 ' B' ' 77' ' ' LEU . 19.2 m-30 -50.67 -31.93 17.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.9 0.381 . . . . 27.17 110.917 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.11 -24.5 66.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 24.44 110.886 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.88 -47.23 78.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 29.82 111.032 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 81' ' ' THR . . . . . 0.497 HG22 ' CE2' ' B' ' 78' ' ' TYR . 49.8 p . . . . . 0 C--N 1.327 -0.379 0 CA-C-N 116.027 -0.533 . . . . 33.42 110.875 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 54' ' ' ASP . . . . . 0.404 ' HA ' ' HG2' ' D' ' 57' ' ' ARG . 16.4 m-20 . . . . . 0 N--CA 1.457 -0.09 0 CA-C-O 120.841 0.353 . . . . 33.14 110.65 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 55' ' ' ALA . . . . . 0.418 ' HB1' ' HB2' ' C' ' 78' ' ' TYR . . . -54.35 -39.75 67.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.499 . . . . 29.38 111.076 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -63.78 -62.6 1.55 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.127 -0.488 . . . . 32.92 110.875 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 57' ' ' ARG . . . . . 0.426 ' HG3' ' N ' ' D' ' 58' ' ' LEU . 0.6 OUTLIER -50.99 -39.7 56.25 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.227 -0.442 . . . . 25.46 110.682 179.831 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' D' D ' 58' ' ' LEU . . . . . 0.758 HD22 HG23 ' B' ' 73' ' ' THR . 3.7 mt -60.02 -59.32 5.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.936 -0.574 . . . . 22.32 110.706 179.784 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 59' ' ' ALA . . . . . . . . . . . . . . . -47.71 -35.55 9.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.81 -0.632 . . . . 20.33 111.064 179.796 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 60' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -60.64 -50.99 71.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.972 -0.558 . . . . 19.93 110.684 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 61' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -56.82 -35.5 68.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.205 -0.452 . . . . 13.81 110.494 179.635 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 62' ' ' GLN . . . . . 0.726 ' HB2' HD12 ' C' ' 74' ' ' LEU . 3.2 mm-40 -69.98 -53.02 19.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.018 -0.537 . . . . 10.36 110.637 179.711 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 63' ' ' SER . . . . . 0.4 ' HB3' ' CG ' ' C' ' 67' ' ' LYS . 0.7 OUTLIER -51.97 -58.07 7.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 16.11 110.558 179.79 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' D' D ' 64' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -51.38 -33.94 32.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.114 -0.494 . . . . 15.85 110.673 179.652 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.78 -42.73 81.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.031 -0.532 . . . . 9.83 110.53 179.718 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 66' ' ' VAL . . . . . 0.626 HG23 ' O ' ' D' ' 62' ' ' GLN . 4.0 t -65.49 -42.33 92.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 7.75 111.048 179.783 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 67' ' ' LYS . . . . . . . . . . . . . 2.4 tttt -55.98 -55.86 27.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.97 -0.559 . . . . 10.01 110.874 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.33 -35.31 67.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 10.11 110.664 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 69' ' ' MET . . . . . 0.438 ' CE ' ' HB3' ' B' ' 62' ' ' GLN . 33.4 ttp -70.64 -49.52 46.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.006 -0.543 . . . . 11.29 110.885 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 70' ' ' VAL . . . . . . . . . . . . . 81.4 t -74.28 -21.31 17.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.078 -0.51 . . . . 11.03 111.234 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -69.07 -45.1 71.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.307 -0.406 . . . . 17.75 110.675 179.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -65.16 -41.35 94.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 24.27 110.671 179.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 73' ' ' THR . . . . . 0.763 HG23 HD22 ' B' ' 58' ' ' LEU . 23.5 m -59.01 -46.65 87.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.455 . . . . 24.8 110.773 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 74' ' ' LEU . . . . . 0.783 HD23 HD12 ' D' ' 77' ' ' LEU . 20.8 mt -59.15 -44.74 92.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.107 -0.497 . . . . 26.85 110.741 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 75' ' ' LYS . . . . . . . . . . . . . 26.2 tttt -51.05 -42.88 60.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.309 -0.405 . . . . 27.36 110.511 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 76' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -74.72 -32.56 62.17 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.983 -0.553 . . . . 28.0 110.396 179.617 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 77' ' ' LEU . . . . . 0.783 HD12 HD23 ' D' ' 74' ' ' LEU . 15.1 mt -61.19 -45.07 96.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.936 -0.575 . . . . 28.9 110.669 179.756 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 78' ' ' TYR . . . . . 0.446 ' CE2' HG22 ' A' ' 81' ' ' THR . 4.6 m-85 -79.66 -40.78 28.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.046 -0.525 . . . . 33.72 110.732 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 79' ' ' LYS . . . . . . . . . . . . . 7.6 ttmt . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.114 -0.494 . . . . 44.66 110.806 179.873 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.17 0 CA-C-O 120.861 0.362 . . . . 34.12 110.921 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -62.82 -53.87 47.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.429 . . . . 29.65 110.373 179.64 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 2.8 tpp180 -67.89 -45.02 75.62 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.884 -0.598 . . . . 35.78 110.252 179.443 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.638 ' C ' HD13 ' A' ' 58' ' ' LEU . 2.4 tm? -58.14 -42.97 87.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.828 -0.624 . . . . 25.36 110.903 179.653 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.79 -35.28 79.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 20.47 111.281 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -61.77 -39.51 91.91 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.251 -0.431 . . . . 20.46 110.934 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -65.83 -54.0 32.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 22.0 110.991 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.556 ' O ' HG23 ' A' ' 66' ' ' VAL . 79.4 mm-40 -51.63 -42.78 62.27 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.022 -0.535 . . . . 24.43 110.964 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 68.5 p -70.22 -33.14 71.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 17.08 110.876 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -63.28 -51.96 63.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 24.85 110.73 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 8.6 mt -53.72 -46.43 70.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.086 -0.507 . . . . 17.27 110.566 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.556 HG23 ' O ' ' A' ' 62' ' ' GLN . 48.2 t -59.7 -48.3 88.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 14.8 110.644 179.481 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.465 ' HG3' ' CB ' ' B' ' 63' ' ' SER . 23.6 tttt -56.66 -41.27 76.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.846 -0.616 . . . . 12.32 110.612 179.74 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.43 -42.99 98.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 12.38 110.524 179.592 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 53.8 ttp -60.61 -39.5 88.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.025 -0.534 . . . . 7.62 110.638 179.656 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 60.5 t -70.71 -45.25 74.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.485 . . . . 9.08 110.714 179.756 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.433 ' O ' ' CB ' ' A' ' 75' ' ' LYS . 46.4 t80 -51.62 -61.0 2.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.496 -0.32 . . . . 10.9 110.468 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 36.3 m-20 -52.45 -40.62 62.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.375 -0.375 . . . . 11.01 110.385 179.672 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.1 m -65.68 -72.38 0.16 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 12.2 110.22 179.408 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.774 HD12 ' HB2' ' B' ' 62' ' ' GLN . 13.1 mt -50.11 -35.32 25.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 13.96 110.904 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.433 ' CB ' ' O ' ' A' ' 71' ' ' PHE . 13.4 ttpt -53.62 -67.48 0.25 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.117 -0.492 . . . . 12.95 110.198 179.491 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -63.81 -33.21 75.17 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.635 -0.711 . . . . 16.5 110.788 179.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.632 ' C ' HD12 ' A' ' 77' ' ' LEU . 0.6 OUTLIER -63.36 -63.94 1.04 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.465 -0.334 . . . . 20.92 110.512 179.916 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.513 ' HE1' HG13 ' D' ' 70' ' ' VAL . 16.7 m-30 -53.34 -27.05 21.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.881 0.372 . . . . 24.52 110.591 179.584 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 9.7 mttt -63.37 -36.11 82.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.101 -0.5 . . . . 25.28 110.443 179.691 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.16 -27.05 66.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.959 -0.564 . . . . 27.39 110.779 179.794 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.442 HG22 ' CE1' ' D' ' 78' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.013 -0.54 . . . . 33.53 110.824 179.837 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.772 0.32 . . . . 34.83 111.058 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.03 -51.59 69.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.37 -0.377 . . . . 31.49 110.946 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.97 -47.75 83.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.272 -0.422 . . . . 32.7 110.387 179.545 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 57' ' ' ARG . . . . . 0.405 ' O ' ' HB3' ' B' ' 60' ' ' ASP . 20.7 tpp180 -59.44 -40.21 86.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.041 -0.527 . . . . 30.13 110.238 179.387 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . 0.799 HD22 HG23 ' D' ' 73' ' ' THR . 3.2 mt -58.22 -61.98 2.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.744 -0.662 . . . . 23.23 110.459 179.439 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -45.68 -29.31 1.22 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.696 -0.683 . . . . 19.68 111.183 179.651 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 60' ' ' ASP . . . . . 0.405 ' HB3' ' O ' ' B' ' 57' ' ' ARG . 24.1 t0 -61.82 -53.72 52.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.023 -0.535 . . . . 17.52 110.665 179.83 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 61' ' ' GLU . . . . . 0.411 ' HG3' ' N ' ' B' ' 62' ' ' GLN . 1.6 pt-20 -60.13 -28.91 68.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 11.65 110.707 179.774 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . 0.774 ' HB2' HD12 ' A' ' 74' ' ' LEU . 15.3 mm-40 -72.21 -48.43 43.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.924 0.392 . . . . 11.49 110.761 179.736 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 63' ' ' SER . . . . . 0.465 ' CB ' ' HG3' ' A' ' 67' ' ' LYS . 0.8 OUTLIER -57.12 -56.19 24.96 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.136 -0.484 . . . . 17.06 110.859 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . 0.432 ' HG3' ' N ' ' B' ' 65' ' ' LEU . 7.9 pt-20 -50.9 -35.57 33.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 17.49 110.78 179.8 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . 0.432 ' N ' ' HG3' ' B' ' 64' ' ' GLU . 0.1 OUTLIER -66.26 -38.29 87.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.49 . . . . 10.02 110.883 179.832 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . 0.543 HG23 ' O ' ' B' ' 62' ' ' GLN . 24.3 t -69.18 -37.28 76.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.242 -0.435 . . . . 8.85 111.222 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 10.7 tttt -59.44 -58.88 6.65 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.205 -0.452 . . . . 16.27 111.017 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 45.4 tttt -54.76 -31.02 58.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.336 -0.393 . . . . 10.15 110.752 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 69' ' ' MET . . . . . . . . . . . . . 47.8 ttp -69.08 -51.42 38.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.481 . . . . 11.03 110.762 179.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.45 HG13 ' HE1' ' C' ' 78' ' ' TYR . 60.2 t -77.23 -20.3 14.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 11.34 111.019 179.757 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -64.4 -52.73 56.72 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.369 -0.378 . . . . 18.47 110.749 179.753 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 42.4 t0 -65.44 -40.24 93.04 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.13 -0.486 . . . . 24.53 110.706 179.728 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 73' ' ' THR . . . . . 0.814 HG23 HD22 ' D' ' 58' ' ' LEU . 16.2 m -53.42 -60.22 3.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 23.36 110.828 179.686 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 74' ' ' LEU . . . . . 0.603 ' HA ' HD12 ' B' ' 77' ' ' LEU . 28.7 mt -50.78 -39.04 51.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.119 -0.491 . . . . 27.64 110.949 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.28 -47.13 55.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 29.86 110.749 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -73.33 -26.8 61.19 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.993 -0.548 . . . . 29.69 110.604 179.724 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.603 HD12 ' HA ' ' B' ' 74' ' ' LEU . 20.3 mt -66.83 -42.47 85.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.048 -0.524 . . . . 29.36 110.762 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 78' ' ' TYR . . . . . 0.614 ' CE1' HD12 ' A' ' 58' ' ' LEU . 9.2 m-85 -82.52 -36.13 26.66 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.077 -0.511 . . . . 35.49 110.94 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 3.8 tttp . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 43.5 110.849 179.992 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.849 0.357 . . . . 31.27 110.889 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -62.8 -53.94 46.63 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.014 0.435 . . . . 27.73 110.435 179.64 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 57' ' ' ARG . . . . . . . . . . . . . 2.8 tpp180 -67.66 -45.03 76.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.905 -0.589 . . . . 29.03 110.318 179.404 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 58' ' ' LEU . . . . . 0.618 HD13 ' C ' ' C' ' 58' ' ' LEU . 2.4 tm? -58.18 -43.16 87.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.716 -0.675 . . . . 29.75 110.891 179.658 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.46 -35.48 79.46 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.222 -0.444 . . . . 25.28 111.225 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -61.56 -39.45 91.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.248 -0.433 . . . . 26.81 110.94 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -66.04 -53.86 33.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 26.81 110.948 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 62' ' ' GLN . . . . . 0.564 ' O ' HG23 ' C' ' 66' ' ' VAL . 79.7 mm-40 -51.73 -42.73 62.5 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.065 -0.516 . . . . 18.91 110.911 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 63' ' ' SER . . . . . . . . . . . . . 68.0 p -70.37 -33.18 71.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 16.2 110.781 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -63.26 -52.02 63.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.292 -0.413 . . . . 18.2 110.741 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 65' ' ' LEU . . . . . . . . . . . . . 8.6 mt -53.66 -46.21 70.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 18.11 110.631 179.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 66' ' ' VAL . . . . . 0.564 HG23 ' O ' ' C' ' 62' ' ' GLN . 48.4 t -59.83 -48.34 88.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.01 0.433 . . . . 10.14 110.692 179.486 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 67' ' ' LYS . . . . . 0.455 ' HG3' ' CB ' ' D' ' 63' ' ' SER . 23.7 tttt -56.92 -41.07 77.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.901 -0.59 . . . . 16.08 110.559 179.798 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.54 -42.76 98.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 22.58 110.485 179.612 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 69' ' ' MET . . . . . . . . . . . . . 53.9 ttp -60.81 -39.65 89.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.094 -0.503 . . . . 9.06 110.486 179.694 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 59.7 t -70.61 -45.17 75.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.095 -0.502 . . . . 7.02 110.761 179.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 71' ' ' PHE . . . . . 0.432 ' O ' ' CB ' ' C' ' 75' ' ' LYS . 46.4 t80 -51.64 -61.03 2.5 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.484 -0.326 . . . . 18.39 110.494 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -52.51 -40.64 62.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.293 -0.412 . . . . 12.57 110.324 179.677 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 73' ' ' THR . . . . . . . . . . . . . 17.7 m -65.62 -72.49 0.15 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 11.11 110.172 179.455 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 74' ' ' LEU . . . . . 0.763 HD12 ' HB2' ' D' ' 62' ' ' GLN . 13.7 mt -50.13 -35.4 25.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.064 -0.517 . . . . 18.42 110.889 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 75' ' ' LYS . . . . . 0.432 ' CB ' ' O ' ' C' ' 71' ' ' PHE . 13.4 ttpt -53.48 -67.93 0.22 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.121 -0.491 . . . . 19.9 110.122 179.406 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 76' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -63.24 -33.11 74.78 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.716 -0.674 . . . . 17.16 110.958 179.705 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 77' ' ' LEU . . . . . 0.637 HD12 ' C ' ' C' ' 77' ' ' LEU . 0.6 OUTLIER -63.5 -64.06 1.01 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.345 -0.389 . . . . 19.87 110.533 179.89 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' C' C ' 78' ' ' TYR . . . . . 0.45 ' HE1' HG13 ' B' ' 70' ' ' VAL . 16.8 m-30 -53.32 -27.03 21.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.88 0.371 . . . . 26.73 110.552 179.616 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 9.7 mttt -63.37 -36.26 83.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 28.0 110.442 179.648 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.97 -27.22 67.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.005 -0.543 . . . . 31.91 110.668 179.737 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 81' ' ' THR . . . . . 0.432 HG22 ' CE1' ' B' ' 78' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 35.64 110.818 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.8 0.333 . . . . 32.76 111.014 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' D' D ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.91 -51.64 68.84 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.355 -0.384 . . . . 31.65 110.931 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.16 -47.55 84.05 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.27 -0.423 . . . . 30.66 110.433 179.585 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 57' ' ' ARG . . . . . 0.407 ' O ' ' HB3' ' D' ' 60' ' ' ASP . 20.7 tpp180 -59.73 -39.96 86.48 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.131 -0.486 . . . . 23.03 110.195 179.447 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 58' ' ' LEU . . . . . 0.814 HD22 HG23 ' B' ' 73' ' ' THR . 3.2 mt -58.41 -61.71 2.38 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.772 -0.649 . . . . 18.48 110.38 179.484 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 59' ' ' ALA . . . . . . . . . . . . . . . -45.89 -29.38 1.37 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.662 -0.699 . . . . 18.46 111.217 179.722 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 60' ' ' ASP . . . . . 0.407 ' HB3' ' O ' ' D' ' 57' ' ' ARG . 24.8 t0 -62.03 -53.35 56.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.92 -0.582 . . . . 23.61 110.714 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 61' ' ' GLU . . . . . 0.408 ' HG3' ' N ' ' D' ' 62' ' ' GLN . 1.6 pt-20 -60.26 -28.81 68.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.277 -0.42 . . . . 16.5 110.712 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 62' ' ' GLN . . . . . 0.763 ' HB2' HD12 ' C' ' 74' ' ' LEU . 15.4 mm-40 -72.48 -48.36 41.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 14.59 110.817 179.749 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 63' ' ' SER . . . . . 0.455 ' CB ' ' HG3' ' C' ' 67' ' ' LYS . 0.8 OUTLIER -56.96 -56.07 26.42 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.203 -0.453 . . . . 12.82 110.769 -179.941 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' D' D ' 64' ' ' GLU . . . . . 0.429 ' HG3' ' N ' ' D' ' 65' ' ' LEU . 7.9 pt-20 -50.97 -35.27 32.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 7.71 110.786 179.732 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 65' ' ' LEU . . . . . 0.429 ' N ' ' HG3' ' D' ' 64' ' ' GLU . 0.1 OUTLIER -66.7 -38.32 86.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.067 -0.515 . . . . 5.6 110.855 179.921 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' D' D ' 66' ' ' VAL . . . . . 0.538 HG23 ' O ' ' D' ' 62' ' ' GLN . 23.5 t -68.94 -37.55 77.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.249 -0.432 . . . . 5.82 111.211 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 67' ' ' LYS . . . . . . . . . . . . . 10.7 tttt -59.23 -59.15 5.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 14.12 110.899 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 68' ' ' LYS . . . . . . . . . . . . . 45.7 tttt -54.62 -31.03 56.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.376 -0.375 . . . . 17.64 110.745 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 69' ' ' MET . . . . . . . . . . . . . 48.3 ttp -69.15 -51.28 39.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 12.97 110.747 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 70' ' ' VAL . . . . . 0.513 HG13 ' HE1' ' A' ' 78' ' ' TYR . 61.5 t -77.57 -19.86 14.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 15.35 111.131 179.74 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -64.6 -52.78 55.7 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.928 0.394 . . . . 24.65 110.615 179.671 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -65.3 -40.33 93.65 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.061 -0.518 . . . . 28.43 110.684 179.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 73' ' ' THR . . . . . 0.799 HG23 HD22 ' B' ' 58' ' ' LEU . 15.6 m -53.53 -60.32 3.46 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.159 -0.473 . . . . 22.72 110.717 179.811 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 74' ' ' LEU . . . . . 0.603 ' HA ' HD12 ' D' ' 77' ' ' LEU . 32.2 mt -50.52 -39.12 47.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.081 -0.509 . . . . 21.11 110.876 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.31 -47.17 55.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 26.22 110.755 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 76' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -73.34 -26.89 61.22 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.011 -0.541 . . . . 30.13 110.614 179.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 77' ' ' LEU . . . . . 0.603 HD12 ' HA ' ' D' ' 74' ' ' LEU . 20.6 mt -66.74 -42.41 86.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.073 -0.512 . . . . 30.44 110.753 179.834 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 78' ' ' TYR . . . . . 0.559 ' CE1' HD12 ' C' ' 58' ' ' LEU . 9.0 m-85 -82.62 -36.14 26.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.103 -0.498 . . . . 31.95 110.952 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 79' ' ' LYS . . . . . . . . . . . . . 3.7 tttp . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 42.16 110.835 179.927 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.471 ' HB1' ' HB3' ' B' ' 78' ' ' TYR . . . . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.778 0.323 . . . . 31.84 110.894 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -67.49 -56.99 7.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.284 -0.416 . . . . 27.34 110.545 179.776 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 4.6 mtt-85 -58.68 -45.21 89.94 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.954 -0.566 . . . . 28.83 110.362 179.623 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.41 ' HA ' HD23 ' A' ' 58' ' ' LEU . 13.1 mt -54.45 -52.84 60.54 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.827 -0.624 . . . . 31.14 110.465 179.698 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.5 -36.72 45.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.495 . . . . 24.63 110.701 179.722 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -73.2 -30.97 63.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.994 -0.548 . . . . 25.28 110.546 179.644 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -74.35 -45.41 47.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.052 -0.522 . . . . 26.13 110.627 179.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 58.3 mm-40 -57.3 -47.81 80.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.01 -0.541 . . . . 18.33 110.619 179.663 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 12.1 p -58.89 -40.01 83.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.053 -0.522 . . . . 16.1 110.644 179.788 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.414 ' O ' ' HG2' ' A' ' 67' ' ' LYS . 0.0 OUTLIER -58.42 -27.93 64.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.481 . . . . 17.46 110.568 179.775 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 71.0 mt -77.87 -34.53 51.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.148 -0.478 . . . . 18.7 110.061 179.437 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 87.1 t -76.57 -43.78 34.76 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 CA-C-N 115.899 -0.591 . . . . 10.08 110.627 179.366 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.414 ' HG2' ' O ' ' A' ' 64' ' ' GLU . 20.2 ptmt -59.41 -42.81 92.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.073 -0.512 . . . . 13.97 110.541 179.777 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -63.27 -38.68 92.09 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.122 -0.49 . . . . 21.56 110.218 179.568 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.656 ' HE2' HG21 ' C' ' 73' ' ' THR . 57.6 ttp -64.54 -43.2 94.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.961 -0.563 . . . . 9.17 110.423 179.667 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 62.1 t -70.17 -41.97 79.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.1 -0.5 . . . . 7.61 110.641 179.632 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.413 ' O ' ' HB2' ' A' ' 75' ' ' LYS . 14.3 t80 -52.58 -63.98 0.97 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.368 -0.378 . . . . 19.4 110.43 179.743 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -51.05 -42.68 60.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.336 -0.393 . . . . 12.71 110.564 179.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.669 HG21 ' HE2' ' C' ' 69' ' ' MET . 18.6 m -64.16 -71.06 0.19 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.384 -0.371 . . . . 10.26 110.267 179.603 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.696 HD12 ' HB2' ' B' ' 62' ' ' GLN . 19.1 mt -50.82 -33.93 25.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.081 -0.508 . . . . 17.84 110.882 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.413 ' HB2' ' O ' ' A' ' 71' ' ' PHE . 3.7 ttpt -56.83 -65.53 0.6 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.037 -0.529 . . . . 19.98 110.185 179.441 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.61 -31.24 71.8 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.596 -0.729 . . . . 17.51 110.964 179.782 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.708 ' O ' HD12 ' A' ' 77' ' ' LEU . 0.8 OUTLIER -61.96 -53.92 48.93 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.363 -0.381 . . . . 19.81 110.752 -179.871 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.504 ' OH ' HG13 ' D' ' 70' ' ' VAL . 22.9 m-85 -65.46 -22.21 66.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.375 -0.375 . . . . 26.83 110.828 179.752 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 3.3 mttt -74.17 -32.74 63.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.278 -0.419 . . . . 27.31 110.573 179.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.04 -29.65 68.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 31.07 110.957 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 34.16 111.004 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 1.9 p30 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.889 0.376 . . . . 32.39 110.962 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 55' ' ' ALA . . . . . 0.488 ' HB1' ' HB2' ' A' ' 78' ' ' TYR . . . -57.23 -45.94 83.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.301 -0.409 . . . . 30.67 111.114 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -61.01 -44.01 98.05 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.242 -0.436 . . . . 30.91 110.767 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 2.3 mtt-85 -62.8 -33.08 74.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 22.32 110.793 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . 0.675 HD22 HG23 ' D' ' 73' ' ' THR . 26.4 mt -71.51 -61.02 1.93 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 18.22 110.68 179.731 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -47.06 -30.31 2.64 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.873 -0.603 . . . . 18.79 111.2 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -69.02 -58.58 3.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.066 -0.516 . . . . 24.76 110.806 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 61' ' ' GLU . . . . . 0.439 ' HA ' ' CG ' ' B' ' 64' ' ' GLU . 2.1 mm-40 -58.26 -29.98 66.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 16.73 110.691 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . 0.696 ' HB2' HD12 ' A' ' 74' ' ' LEU . 2.1 mm-40 -71.93 -38.63 69.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.96 -0.564 . . . . 14.28 110.773 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -69.76 -57.26 5.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.118 -0.492 . . . . 12.85 110.793 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . 0.439 ' CG ' ' HA ' ' B' ' 61' ' ' GLU . 0.0 OUTLIER -50.84 -30.27 13.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.332 -0.395 . . . . 7.95 110.564 179.717 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.21 -49.91 57.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.949 -0.568 . . . . 6.34 110.526 179.638 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . 0.588 HG23 ' O ' ' B' ' 62' ' ' GLN . 38.2 t -57.54 -31.86 40.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 5.16 110.918 179.682 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 67' ' ' LYS . . . . . 0.417 ' O ' ' N ' ' B' ' 71' ' ' PHE . 0.1 OUTLIER -60.87 -53.32 58.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.002 -0.544 . . . . 10.01 111.158 -179.876 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 22.1 tttt -58.96 -34.28 71.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.395 -0.366 . . . . 17.83 111.086 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 69' ' ' MET . . . . . . . . . . . . . 35.2 ttp -73.36 -45.2 56.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 13.25 111.103 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.617 HG13 ' OH ' ' C' ' 78' ' ' TYR . 95.0 t -79.72 -21.54 12.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.304 -0.407 . . . . 15.3 111.227 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.417 ' N ' ' O ' ' B' ' 67' ' ' LYS . 60.7 t80 -68.94 -39.7 79.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.369 -0.378 . . . . 24.13 110.632 179.774 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -70.84 -50.01 40.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 28.4 110.564 179.746 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 73' ' ' THR . . . . . 0.692 HG23 HD22 ' D' ' 58' ' ' LEU . 98.3 m -52.84 -43.27 65.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.052 -0.522 . . . . 23.43 110.736 179.741 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 71.6 mt -63.89 -36.62 84.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.084 -0.507 . . . . 21.51 110.689 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -51.83 -44.41 63.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 25.84 110.685 179.842 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 74.7 m-20 -75.71 -36.39 60.01 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.989 -0.551 . . . . 30.85 110.647 179.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.432 ' CD1' ' CD1' ' C' ' 78' ' ' TYR . 17.4 mt -57.77 -42.05 83.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.007 -0.542 . . . . 29.98 110.636 179.717 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 78' ' ' TYR . . . . . 0.471 ' HB3' ' HB1' ' A' ' 55' ' ' ALA . 4.4 m-85 -82.24 -33.09 29.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.025 -0.534 . . . . 31.34 110.893 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 6.0 ttmt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 41.75 110.811 -179.96 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' C' C ' 55' ' ' ALA . . . . . 0.634 ' HB1' ' HB3' ' D' ' 78' ' ' TYR . . . . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.84 0.352 . . . . 34.88 110.935 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -67.5 -56.97 7.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.451 . . . . 30.37 110.593 179.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 57' ' ' ARG . . . . . . . . . . . . . 4.7 mtt-85 -58.7 -45.16 90.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.903 -0.59 . . . . 34.81 110.402 179.62 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 13.2 mt -54.32 -53.02 59.53 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.869 -0.605 . . . . 25.3 110.486 179.644 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.34 -36.83 44.73 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.017 -0.538 . . . . 20.86 110.668 179.675 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -73.15 -31.07 64.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.042 -0.527 . . . . 22.06 110.562 179.701 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -74.18 -45.56 47.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.047 -0.524 . . . . 23.54 110.67 179.718 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 62' ' ' GLN . . . . . 0.403 ' HB2' HD13 ' D' ' 74' ' ' LEU . 58.5 mm-40 -57.22 -47.88 80.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.932 -0.576 . . . . 25.05 110.516 179.733 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 63' ' ' SER . . . . . . . . . . . . . 12.1 p -58.69 -40.15 82.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.079 -0.51 . . . . 16.88 110.612 179.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 64' ' ' GLU . . . . . 0.412 ' O ' ' HG2' ' C' ' 67' ' ' LYS . 0.0 OUTLIER -58.35 -28.03 64.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.469 . . . . 24.95 110.597 179.836 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' C' C ' 65' ' ' LEU . . . . . . . . . . . . . 72.4 mt -77.75 -34.64 52.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.09 -0.504 . . . . 16.53 110.083 179.48 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 66' ' ' VAL . . . . . . . . . . . . . 91.0 t -76.55 -43.91 34.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.846 -0.616 . . . . 14.42 110.633 179.438 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 67' ' ' LYS . . . . . 0.412 ' HG2' ' O ' ' C' ' 64' ' ' GLU . 20.2 ptmt -59.25 -42.98 92.39 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.975 -0.557 . . . . 14.83 110.527 179.694 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 68' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -63.09 -38.58 91.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 13.62 110.285 179.54 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 69' ' ' MET . . . . . 0.669 ' HE2' HG21 ' A' ' 73' ' ' THR . 57.7 ttp -64.64 -43.28 94.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.003 -0.544 . . . . 7.17 110.446 179.649 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 59.7 t -70.19 -42.08 78.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.016 -0.538 . . . . 8.67 110.578 179.678 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 71' ' ' PHE . . . . . 0.407 ' O ' ' HB2' ' C' ' 75' ' ' LYS . 14.3 t80 -52.28 -64.1 0.92 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.422 -0.354 . . . . 8.83 110.388 179.679 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -51.12 -42.31 60.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.325 -0.398 . . . . 11.12 110.633 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 73' ' ' THR . . . . . 0.656 HG21 ' HE2' ' A' ' 69' ' ' MET . 18.6 m -64.38 -70.93 0.2 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.327 -0.397 . . . . 13.13 110.279 179.579 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 74' ' ' LEU . . . . . 0.711 HD12 ' HB2' ' D' ' 62' ' ' GLN . 20.0 mt -50.77 -34.27 26.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.085 -0.507 . . . . 14.81 110.932 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 75' ' ' LYS . . . . . 0.407 ' HB2' ' O ' ' C' ' 71' ' ' PHE . 3.7 ttpt -56.64 -65.55 0.59 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.977 -0.556 . . . . 13.19 110.227 179.499 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 76' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.64 -31.26 71.83 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.675 -0.693 . . . . 16.36 110.966 179.709 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 77' ' ' LEU . . . . . 0.725 ' O ' HD12 ' C' ' 77' ' ' LEU . 0.7 OUTLIER -61.92 -53.97 48.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.404 -0.362 . . . . 21.18 110.718 -179.884 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' C' C ' 78' ' ' TYR . . . . . 0.617 ' OH ' HG13 ' B' ' 70' ' ' VAL . 22.7 m-85 -65.35 -22.37 66.8 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.418 -0.355 . . . . 23.76 110.865 179.7 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 3.4 mttt -74.16 -32.43 63.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.309 -0.405 . . . . 28.76 110.648 179.719 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.22 -29.57 68.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 26.87 110.995 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 81' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.128 -0.487 . . . . 33.19 110.951 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 1.9 p30 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.737 0.303 . . . . 34.86 110.958 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' D' D ' 55' ' ' ALA . . . . . 0.52 ' HB1' ' HB2' ' C' ' 78' ' ' TYR . . . -57.4 -46.03 83.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.292 -0.413 . . . . 31.49 111.02 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -60.89 -43.86 97.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 32.02 110.815 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 57' ' ' ARG . . . . . . . . . . . . . 2.4 mtt-85 -63.01 -32.77 74.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 32.45 110.738 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 58' ' ' LEU . . . . . 0.692 HD22 HG23 ' B' ' 73' ' ' THR . 26.6 mt -71.82 -60.8 2.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 22.4 110.691 179.801 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 59' ' ' ALA . . . . . . . . . . . . . . . -47.22 -30.03 2.74 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.937 -0.574 . . . . 18.93 111.18 179.732 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 60' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.29 -58.44 4.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.053 -0.521 . . . . 19.41 110.802 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 61' ' ' GLU . . . . . 0.447 ' HA ' ' CG ' ' D' ' 64' ' ' GLU . 2.1 mm-40 -58.53 -29.73 66.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.286 -0.415 . . . . 11.99 110.755 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 62' ' ' GLN . . . . . 0.711 ' HB2' HD12 ' C' ' 74' ' ' LEU . 2.0 mm-40 -72.03 -38.77 69.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.994 -0.548 . . . . 11.65 110.787 179.815 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 63' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -69.59 -57.27 5.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.075 -0.511 . . . . 16.9 110.918 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 64' ' ' GLU . . . . . 0.447 ' CG ' ' HA ' ' D' ' 61' ' ' GLU . 0.0 OUTLIER -50.83 -30.38 14.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.99 0.424 . . . . 18.83 110.608 179.702 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' D' D ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.08 -49.93 58.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.919 -0.582 . . . . 9.48 110.593 179.622 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 66' ' ' VAL . . . . . 0.605 HG23 ' O ' ' D' ' 62' ' ' GLN . 38.3 t -57.6 -31.85 40.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.069 -0.514 . . . . 8.93 110.929 179.699 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.82 -53.32 58.73 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.933 -0.576 . . . . 17.82 111.21 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 68' ' ' LYS . . . . . . . . . . . . . 21.9 tttt -59.06 -34.1 71.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.321 -0.399 . . . . 11.19 111.093 -179.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 69' ' ' MET . . . . . . . . . . . . . 35.0 ttp -73.48 -45.25 55.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 11.3 111.133 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 70' ' ' VAL . . . . . 0.504 HG13 ' OH ' ' A' ' 78' ' ' TYR . 99.9 t -79.68 -21.6 12.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 11.66 111.191 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -68.75 -39.73 80.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.957 0.408 . . . . 18.66 110.707 179.686 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -70.77 -50.14 39.12 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.049 -0.523 . . . . 23.91 110.521 179.639 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 73' ' ' THR . . . . . 0.675 HG23 HD22 ' B' ' 58' ' ' LEU . 98.3 m -52.61 -43.36 65.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.077 -0.51 . . . . 22.21 110.659 179.792 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 74' ' ' LEU . . . . . 0.403 HD13 ' HB2' ' C' ' 62' ' ' GLN . 71.3 mt -63.93 -36.67 84.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 26.92 110.821 179.819 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 75' ' ' LYS . . . . . . . . . . . . . 1.1 ttpt -51.95 -43.94 63.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 29.87 110.764 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 76' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -76.18 -36.18 58.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.049 -0.523 . . . . 29.48 110.51 179.748 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 77' ' ' LEU . . . . . 0.407 ' CD1' ' CD1' ' A' ' 78' ' ' TYR . 17.2 mt -57.97 -41.87 83.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.961 -0.563 . . . . 28.43 110.66 179.734 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 78' ' ' TYR . . . . . 0.634 ' HB3' ' HB1' ' C' ' 55' ' ' ALA . 4.6 m-85 -82.44 -33.02 28.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.005 -0.543 . . . . 34.41 110.815 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 79' ' ' LYS . . . . . . . . . . . . . 6.0 ttmt . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 40.68 110.871 -179.974 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.142 0 CA-C-O 120.869 0.366 . . . . 30.71 110.718 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -65.55 -51.03 62.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 27.77 110.496 179.668 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 47.1 mtp180 -62.37 -44.88 95.44 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.953 -0.567 . . . . 26.98 110.384 179.459 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.467 HD23 ' HA ' ' A' ' 58' ' ' LEU . 13.7 mt -56.23 -49.9 72.8 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.729 -0.668 . . . . 28.17 110.771 179.72 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.41 -37.76 50.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.078 -0.51 . . . . 24.53 110.905 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.45 -34.72 65.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.107 -0.497 . . . . 26.06 110.775 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -69.78 -47.41 63.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 27.62 110.742 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.492 ' HA ' HD12 ' A' ' 65' ' ' LEU . 47.1 mm-40 -59.95 -40.98 90.83 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.059 -0.519 . . . . 19.67 110.685 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 59.0 m -67.29 -31.86 72.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 16.04 110.814 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -60.12 -49.72 76.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 18.02 110.598 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.492 HD12 ' HA ' ' A' ' 62' ' ' GLN . 3.6 mt -56.17 -44.69 79.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.052 -0.522 . . . . 16.65 110.724 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.425 ' O ' ' HG2' ' A' ' 69' ' ' MET . 72.2 t -68.31 -46.45 80.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.197 -0.456 . . . . 10.01 110.865 179.797 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.26 -25.04 67.49 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.203 -0.453 . . . . 18.43 110.471 179.55 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 13.8 ttpt -79.05 -42.78 25.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.078 -0.51 . . . . 21.01 110.731 179.64 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.456 ' HE2' HG21 ' C' ' 73' ' ' THR . 8.0 ptt? -66.72 -27.16 67.4 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.279 -0.419 . . . . 8.62 110.718 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.404 HG23 ' O ' ' A' ' 66' ' ' VAL . 62.5 t -78.15 -44.03 27.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.233 -0.44 . . . . 5.34 110.539 179.64 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.415 ' O ' ' CB ' ' A' ' 75' ' ' LYS . 35.8 t80 -49.94 -58.33 5.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.327 -0.397 . . . . 15.42 110.533 179.776 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -54.92 -45.55 74.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 9.39 110.349 179.46 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.462 HG21 ' HE1' ' C' ' 69' ' ' MET . 19.0 m -60.99 -68.97 0.26 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.965 -0.561 . . . . 12.65 110.373 179.677 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.465 ' CD1' ' HB3' ' B' ' 62' ' ' GLN . 14.2 mt -52.34 -38.81 59.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 18.83 111.016 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.415 ' CB ' ' O ' ' A' ' 71' ' ' PHE . 14.0 tttt -54.63 -68.59 0.17 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.127 0.489 . . . . 21.72 110.176 179.474 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -62.46 -29.44 70.53 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.66 -0.7 . . . . 15.46 110.938 179.695 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.621 ' C ' HD12 ' A' ' 77' ' ' LEU . 0.7 OUTLIER -65.15 -60.97 2.44 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.29 -0.414 . . . . 19.21 110.665 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.513 ' CZ ' HG21 ' D' ' 73' ' ' THR . 20.8 m-85 -56.54 -26.42 54.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.352 -0.385 . . . . 25.79 110.486 179.716 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.89 -28.22 68.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.49 . . . . 27.07 110.719 179.799 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.64 -42.43 98.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 30.05 110.835 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 71.4 p . . . . . 0 C--N 1.326 -0.443 0 CA-C-N 116.102 -0.499 . . . . 34.01 110.796 179.907 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.816 0.341 . . . . 33.31 111.011 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -52.05 -41.42 62.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.257 -0.428 . . . . 33.0 110.878 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -70.16 -50.54 39.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.128 -0.487 . . . . 30.21 110.765 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 6.2 mtt180 -58.96 -38.73 79.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 26.78 110.644 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . 0.863 HD22 HG23 ' D' ' 73' ' ' THR . 60.0 mt -63.7 -60.48 3.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.064 -0.516 . . . . 18.14 110.67 179.723 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 59' ' ' ALA . . . . . 0.424 ' O ' ' CB ' ' B' ' 63' ' ' SER . . . -47.95 -28.18 2.58 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.847 -0.615 . . . . 18.42 111.135 179.815 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 62.3 t0 -73.67 -62.29 1.54 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 22.15 110.874 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 61' ' ' GLU . . . . . 0.722 ' OE2' HD23 ' B' ' 58' ' ' LEU . 10.4 pt-20 -57.4 -41.44 80.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.435 -0.348 . . . . 16.16 110.55 179.709 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . 0.603 ' O ' HG23 ' B' ' 66' ' ' VAL . 0.0 OUTLIER -67.47 -39.85 85.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 15.09 110.974 179.695 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 63' ' ' SER . . . . . 0.424 ' CB ' ' O ' ' B' ' 59' ' ' ALA . 78.9 p -70.78 -56.71 5.75 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.393 -0.367 . . . . 12.67 110.7 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 23.1 pt-20 -50.91 -35.59 33.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.434 . . . . 10.37 110.735 179.758 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 3.8 tt -61.68 -43.46 98.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.195 -0.457 . . . . 5.63 110.648 179.747 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . 0.603 HG23 ' O ' ' B' ' 62' ' ' GLN . 11.1 t -57.61 -42.48 81.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 6.68 110.985 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 8.2 tttp -54.7 -57.8 10.04 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.077 -0.511 . . . . 17.36 110.866 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 1.5 mptt -52.79 -38.13 60.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 18.57 110.762 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 69' ' ' MET . . . . . . . . . . . . . 16.7 ttp -67.04 -49.9 63.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 13.1 110.952 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 75.2 t -72.69 -24.83 21.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.01 -0.541 . . . . 15.51 111.37 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -59.9 -49.44 77.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.867 0.365 . . . . 25.13 110.644 179.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -64.33 -45.29 88.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 28.71 110.58 179.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 73' ' ' THR . . . . . 0.842 HG23 HD22 ' D' ' 58' ' ' LEU . 51.6 m -52.18 -50.48 61.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.097 -0.501 . . . . 21.12 110.795 179.756 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 74' ' ' LEU . . . . . 0.448 ' HA ' HD12 ' B' ' 77' ' ' LEU . 36.0 mt -62.06 -41.22 97.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.114 -0.494 . . . . 21.31 110.834 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -50.19 -39.02 42.73 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.288 -0.414 . . . . 27.94 110.624 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -80.93 -34.99 32.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.953 -0.567 . . . . 30.71 110.563 179.651 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.489 HD11 ' CD1' ' C' ' 78' ' ' TYR . 19.0 mt -58.77 -42.54 89.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.029 -0.532 . . . . 30.43 110.847 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -79.06 -46.93 17.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.497 . . . . 32.55 110.846 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 12.3 ttpt . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 115.992 -0.549 . . . . 40.42 111.093 -179.95 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.122 0 CA-C-O 120.795 0.331 . . . . 35.81 110.808 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -65.61 -51.22 61.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.127 -0.488 . . . . 30.95 110.462 179.58 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 57' ' ' ARG . . . . . . . . . . . . . 46.8 mtp180 -62.23 -44.92 95.46 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.881 -0.6 . . . . 38.83 110.396 179.484 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 58' ' ' LEU . . . . . 0.449 HD23 ' HA ' ' C' ' 58' ' ' LEU . 13.8 mt -56.19 -50.09 72.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.748 -0.66 . . . . 28.44 110.705 179.727 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.16 -37.74 48.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.089 -0.505 . . . . 20.91 110.94 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.49 -34.68 65.42 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.138 -0.483 . . . . 18.98 110.795 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -69.9 -47.3 63.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.476 . . . . 21.22 110.811 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 62' ' ' GLN . . . . . 0.485 ' HA ' HD12 ' C' ' 65' ' ' LEU . 46.4 mm-40 -60.0 -41.02 91.2 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.018 -0.537 . . . . 24.08 110.734 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 63' ' ' SER . . . . . . . . . . . . . 59.9 m -67.13 -32.1 73.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 17.24 110.902 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -60.03 -49.64 76.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.216 -0.447 . . . . 26.84 110.624 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 65' ' ' LEU . . . . . 0.485 HD12 ' HA ' ' C' ' 62' ' ' GLN . 3.6 mt -56.05 -44.86 79.25 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.053 -0.522 . . . . 19.05 110.754 179.834 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 66' ' ' VAL . . . . . 0.431 ' O ' ' HG2' ' C' ' 69' ' ' MET . 67.6 t -68.24 -46.49 80.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.211 -0.449 . . . . 15.25 110.85 179.779 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 67' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.03 -25.19 67.73 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.239 -0.437 . . . . 9.09 110.476 179.5 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 68' ' ' LYS . . . . . . . . . . . . . 13.8 ttpt -79.14 -42.58 25.87 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.074 -0.512 . . . . 13.79 110.775 179.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 69' ' ' MET . . . . . 0.462 ' HE1' HG21 ' A' ' 73' ' ' THR . 7.9 ptt? -66.85 -27.0 67.18 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.318 -0.401 . . . . 8.73 110.748 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 70' ' ' VAL . . . . . 0.407 HG23 ' O ' ' C' ' 66' ' ' VAL . 62.7 t -78.25 -43.81 27.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.179 -0.464 . . . . 9.14 110.604 179.604 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 71' ' ' PHE . . . . . 0.42 ' O ' ' CB ' ' C' ' 75' ' ' LYS . 35.7 t80 -50.08 -58.51 5.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.289 -0.414 . . . . 14.75 110.487 179.705 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -54.85 -45.61 74.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 12.55 110.272 179.541 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 73' ' ' THR . . . . . 0.456 HG21 ' HE2' ' A' ' 69' ' ' MET . 19.2 m -61.03 -68.96 0.26 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.028 -0.533 . . . . 10.63 110.456 179.649 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 74' ' ' LEU . . . . . 0.454 ' CD1' ' HB3' ' D' ' 62' ' ' GLN . 14.3 mt -52.3 -38.9 59.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 13.17 111.076 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 75' ' ' LYS . . . . . 0.42 ' CB ' ' O ' ' C' ' 71' ' ' PHE . 14.0 tttt -54.48 -68.61 0.17 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.2 -0.455 . . . . 14.65 110.201 179.412 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 76' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -62.56 -29.41 70.56 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.618 -0.719 . . . . 17.87 110.906 179.735 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 77' ' ' LEU . . . . . 0.612 HD12 ' C ' ' C' ' 77' ' ' LEU . 0.7 OUTLIER -65.01 -61.04 2.39 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.426 -0.352 . . . . 21.27 110.612 179.921 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' C' C ' 78' ' ' TYR . . . . . 0.53 ' CZ ' HG21 ' B' ' 73' ' ' THR . 20.9 m-85 -56.49 -26.47 54.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.954 0.406 . . . . 26.14 110.578 179.678 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.85 -28.5 68.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.075 -0.511 . . . . 24.65 110.692 179.742 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.25 -42.51 98.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.172 -0.467 . . . . 29.22 110.915 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 81' ' ' THR . . . . . . . . . . . . . 71.4 p . . . . . 0 C--N 1.327 -0.404 0 CA-C-N 116.126 -0.488 . . . . 33.51 110.833 180.0 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.826 0.346 . . . . 32.86 111.058 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' D' D ' 55' ' ' ALA . . . . . . . . . . . . . . . -51.98 -41.44 62.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 29.49 110.894 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -70.0 -50.75 38.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.056 -0.52 . . . . 33.11 110.755 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 57' ' ' ARG . . . . . . . . . . . . . 6.1 mtt180 -58.76 -38.77 79.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 26.78 110.697 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 58' ' ' LEU . . . . . 0.842 HD22 HG23 ' B' ' 73' ' ' THR . 60.7 mt -63.75 -60.25 3.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.069 -0.514 . . . . 22.18 110.719 179.737 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 59' ' ' ALA . . . . . 0.421 ' O ' ' CB ' ' D' ' 63' ' ' SER . . . -48.14 -28.1 2.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.742 -0.663 . . . . 20.04 111.174 179.83 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 60' ' ' ASP . . . . . . . . . . . . . 62.5 t0 -73.84 -62.02 1.64 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.103 -0.499 . . . . 18.39 110.817 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 61' ' ' GLU . . . . . 0.718 ' OE2' HD23 ' D' ' 58' ' ' LEU . 10.4 pt-20 -57.56 -41.37 80.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.44 -0.346 . . . . 11.78 110.536 179.742 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 62' ' ' GLN . . . . . 0.598 ' O ' HG23 ' D' ' 66' ' ' VAL . 0.0 OUTLIER -67.44 -39.74 85.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 10.67 110.966 179.785 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' D' D ' 63' ' ' SER . . . . . 0.421 ' CB ' ' O ' ' D' ' 59' ' ' ALA . 78.8 p -70.86 -56.81 5.47 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.327 -0.397 . . . . 16.51 110.755 179.816 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 64' ' ' GLU . . . . . . . . . . . . . 23.0 pt-20 -50.95 -35.49 33.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 17.09 110.738 179.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 65' ' ' LEU . . . . . 0.411 ' HB2' ' O ' ' D' ' 61' ' ' GLU . 3.7 tt -61.76 -43.5 98.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.13 -0.486 . . . . 9.64 110.682 179.669 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 66' ' ' VAL . . . . . 0.598 HG23 ' O ' ' D' ' 62' ' ' GLN . 11.0 t -57.71 -42.3 81.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.249 -0.432 . . . . 8.1 111.034 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 67' ' ' LYS . . . . . . . . . . . . . 8.2 tttp -54.71 -57.89 9.72 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.062 -0.517 . . . . 12.67 110.78 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 68' ' ' LYS . . . . . . . . . . . . . 1.5 mptt -52.61 -38.14 59.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 8.66 110.784 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 69' ' ' MET . . . . . . . . . . . . . 16.7 ttp -67.03 -49.98 63.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 11.26 110.868 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 70' ' ' VAL . . . . . . . . . . . . . 77.4 t -72.65 -24.91 21.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.02 -0.537 . . . . 10.79 111.355 -179.606 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -59.81 -49.45 77.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.782 0.325 . . . . 17.82 110.698 179.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -64.29 -45.64 87.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 24.57 110.559 179.72 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 73' ' ' THR . . . . . 0.863 HG23 HD22 ' B' ' 58' ' ' LEU . 52.5 m -51.77 -50.66 60.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 24.08 110.791 179.73 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 74' ' ' LEU . . . . . 0.482 HD13 ' HB2' ' C' ' 62' ' ' GLN . 35.9 mt -61.89 -41.43 97.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 27.09 110.859 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 75' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -49.91 -39.07 38.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.937 0.399 . . . . 28.03 110.65 179.835 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 76' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -81.08 -34.71 32.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.94 -0.573 . . . . 28.03 110.615 179.712 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 77' ' ' LEU . . . . . 0.495 HD11 ' CD1' ' A' ' 78' ' ' TYR . 19.0 mt -59.0 -42.6 90.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.036 -0.529 . . . . 28.29 110.705 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 78' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -78.97 -47.13 16.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 33.65 110.81 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 79' ' ' LYS . . . . . . . . . . . . . 12.4 ttpt . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.076 -0.511 . . . . 43.79 111.1 -179.907 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.571 ' HB1' ' HB3' ' B' ' 78' ' ' TYR . . . . . . . . 0 N--CA 1.456 -0.146 0 CA-C-O 120.877 0.37 . . . . 30.5 110.637 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.6 -49.24 69.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 26.82 110.31 179.523 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 1.4 tmm_? -62.67 -45.13 94.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.95 -0.568 . . . . 27.69 110.088 179.339 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.445 ' HA ' HD23 ' A' ' 58' ' ' LEU . 14.9 mt -57.15 -47.23 81.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.686 -0.688 . . . . 26.01 110.574 179.494 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -52.84 -33.79 51.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.047 -0.524 . . . . 23.73 110.811 179.839 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -79.48 -27.04 41.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 26.22 110.696 179.868 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -70.72 -52.86 18.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.434 . . . . 28.31 110.72 179.874 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.811 ' HA ' HD12 ' A' ' 65' ' ' LEU . 0.4 OUTLIER -61.69 -39.58 91.97 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.962 -0.563 . . . . 20.5 110.363 179.681 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 66.5 m -62.71 -32.79 73.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.0 -0.545 . . . . 16.03 110.603 179.769 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -64.08 -43.07 96.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.102 -0.499 . . . . 18.62 110.61 179.71 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.811 HD12 ' HA ' ' A' ' 62' ' ' GLN . 3.6 mt -59.9 -33.1 71.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 15.3 110.505 179.68 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 49.0 t -74.4 -46.8 42.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.981 -0.554 . . . . 10.45 110.944 179.805 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 10.5 tttm -61.39 -45.1 95.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 19.67 110.628 179.803 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.1 mtmm -62.57 -33.87 75.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.145 -0.48 . . . . 20.13 110.605 179.842 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 36.4 ttp -71.22 -38.6 71.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.109 -0.496 . . . . 7.74 110.67 179.853 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 55.4 t -71.89 -41.5 69.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.487 . . . . 3.98 110.851 179.779 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.433 ' O ' ' CB ' ' A' ' 75' ' ' LYS . 33.2 t80 -53.55 -60.69 2.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.47 -0.332 . . . . 11.85 110.536 179.895 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.49 -42.79 61.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.43 -0.35 . . . . 7.71 110.577 179.812 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 17.8 m -65.64 -71.94 0.17 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.222 -0.445 . . . . 13.75 110.322 179.651 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.726 HD12 ' HB2' ' B' ' 62' ' ' GLN . 15.1 mt -49.94 -35.09 22.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.089 -0.505 . . . . 18.66 111.12 -179.969 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.433 ' CB ' ' O ' ' A' ' 71' ' ' PHE . 12.2 tttt -54.17 -71.36 0.08 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.146 0.498 . . . . 19.92 110.198 179.241 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.44 -30.11 69.44 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.677 -0.692 . . . . 14.61 110.763 179.636 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.628 ' C ' HD12 ' A' ' 77' ' ' LEU . 0.6 OUTLIER -65.29 -66.47 0.54 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.361 -0.381 . . . . 19.41 110.695 179.96 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.61 ' OH ' HG13 ' D' ' 70' ' ' VAL . 19.1 m-85 -54.09 -23.36 13.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.324 -0.398 . . . . 25.11 110.887 179.85 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 4.7 mmtp -74.86 -29.14 60.94 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.348 -0.387 . . . . 27.19 110.533 179.823 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.05 -33.82 70.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.025 -0.534 . . . . 28.71 110.963 179.924 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 33.56 110.778 -179.96 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.806 0.336 . . . . 34.45 110.802 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.31 -56.24 22.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.293 -0.412 . . . . 33.93 110.712 179.754 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.49 -38.94 91.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.039 -0.528 . . . . 32.02 110.393 179.5 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 10.5 ttm180 -65.89 -33.61 76.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.091 -0.504 . . . . 27.5 110.088 179.344 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . 0.433 HD22 HG23 ' D' ' 73' ' ' THR . 11.5 mt -66.08 -58.69 4.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.819 -0.628 . . . . 19.52 110.737 179.829 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -46.35 -37.66 7.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.905 -0.589 . . . . 17.62 110.936 179.825 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.52 -48.32 81.22 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.896 -0.593 . . . . 23.31 110.36 179.579 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -66.42 -32.4 73.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.974 -0.557 . . . . 15.76 110.375 179.635 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . 0.726 ' HB2' HD12 ' A' ' 74' ' ' LEU . 15.0 mm-40 -71.29 -44.78 64.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.069 -0.514 . . . . 14.88 110.481 179.461 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 1.3 m -61.7 -55.83 26.14 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.121 -0.49 . . . . 14.26 110.673 179.858 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 20.4 pt-20 -51.08 -33.25 25.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.051 -0.522 . . . . 12.63 110.675 179.741 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.05 -42.55 94.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 5.79 110.569 179.694 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . 0.54 HG23 ' O ' ' B' ' 62' ' ' GLN . 3.6 t -64.16 -37.86 80.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.228 -0.442 . . . . 7.41 111.038 179.849 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 25.3 ttmt -54.96 -61.99 1.95 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.103 -0.499 . . . . 19.77 110.883 179.961 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 1.4 tttm -50.83 -36.57 38.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.134 -0.485 . . . . 14.87 110.743 179.852 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 69' ' ' MET . . . . . . . . . . . . . 30.2 ttp -67.65 -49.56 62.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.991 -0.55 . . . . 12.83 110.963 -179.92 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.615 HG13 ' OH ' ' C' ' 78' ' ' TYR . 66.5 t -74.84 -23.67 17.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 15.49 111.211 -179.876 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 18.1 t80 -65.5 -35.47 80.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.307 -0.406 . . . . 24.51 110.663 179.814 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -74.83 -45.09 45.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.054 -0.521 . . . . 27.98 110.719 179.831 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 73' ' ' THR . . . . . 0.441 HG23 HD22 ' D' ' 58' ' ' LEU . 58.2 m -57.86 -53.76 54.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 20.53 110.9 179.856 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 74' ' ' LEU . . . . . 0.543 HD23 HD12 ' B' ' 77' ' ' LEU . 56.5 mt -55.82 -41.03 73.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.267 -0.424 . . . . 22.39 110.839 179.951 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.13 -47.48 45.43 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.03 0.443 . . . . 29.21 110.742 179.783 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -71.83 -33.45 68.49 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.854 -0.612 . . . . 31.51 110.666 179.679 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.543 HD12 HD23 ' B' ' 74' ' ' LEU . 16.2 mt -62.37 -49.41 75.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.063 -0.517 . . . . 30.8 110.893 179.842 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 78' ' ' TYR . . . . . 0.571 ' HB3' ' HB1' ' A' ' 55' ' ' ALA . 23.1 m-85 -76.17 -29.69 57.81 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.153 -0.476 . . . . 33.75 110.826 179.98 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 17.6 tppt? . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 38.48 110.937 -179.985 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' C' C ' 55' ' ' ALA . . . . . 0.645 ' HB1' ' HB3' ' D' ' 78' ' ' TYR . . . . . . . . 0 N--CA 1.456 -0.166 0 CA-C-O 120.9 0.381 . . . . 35.52 110.657 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.61 -49.38 68.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.09 -0.505 . . . . 30.47 110.264 179.587 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' C' C ' 57' ' ' ARG . . . . . . . . . . . . . 1.4 tmm_? -62.5 -44.96 95.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.85 -0.614 . . . . 38.48 110.144 179.342 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 58' ' ' LEU . . . . . 0.459 ' HA ' HD23 ' C' ' 58' ' ' LEU . 15.0 mt -57.33 -47.28 81.96 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.653 -0.703 . . . . 30.3 110.604 179.533 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' C' C ' 59' ' ' ALA . . . . . 0.407 ' HA ' HD13 ' D' ' 74' ' ' LEU . . . -52.84 -33.82 51.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.973 -0.558 . . . . 21.56 110.864 179.869 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -79.25 -27.23 42.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.093 -0.503 . . . . 19.77 110.716 179.822 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -70.64 -52.96 17.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 20.54 110.705 179.913 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 62' ' ' GLN . . . . . 0.791 ' HA ' HD12 ' C' ' 65' ' ' LEU . 0.4 OUTLIER -61.75 -39.3 91.11 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.997 -0.547 . . . . 22.87 110.425 179.721 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' C' C ' 63' ' ' SER . . . . . . . . . . . . . 67.2 m -62.83 -32.88 74.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.982 -0.553 . . . . 17.77 110.569 179.654 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -63.94 -43.16 96.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 26.07 110.625 179.75 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 65' ' ' LEU . . . . . 0.791 HD12 ' HA ' ' C' ' 62' ' ' GLN . 3.6 mt -59.87 -33.1 71.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 19.91 110.508 179.608 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' C' C ' 66' ' ' VAL . . . . . . . . . . . . . 49.1 t -74.32 -46.59 43.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.037 -0.528 . . . . 14.44 111.032 179.729 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 67' ' ' LYS . . . . . . . . . . . . . 10.6 tttm -61.69 -44.92 96.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 7.85 110.699 179.793 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 68' ' ' LYS . . . . . . . . . . . . . 1.1 mtmm -62.67 -33.77 75.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 14.54 110.626 179.833 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 69' ' ' MET . . . . . . . . . . . . . 37.1 ttp -71.32 -38.65 71.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.021 -0.536 . . . . 8.71 110.677 179.845 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 52.9 t -71.83 -41.35 69.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.072 -0.513 . . . . 9.13 110.699 179.841 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 71' ' ' PHE . . . . . 0.437 ' O ' ' CB ' ' C' ' 75' ' ' LYS . 33.2 t80 -53.71 -60.79 2.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.49 -0.323 . . . . 17.83 110.537 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.41 -42.84 61.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.423 -0.353 . . . . 14.61 110.62 179.863 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' C' C ' 73' ' ' THR . . . . . . . . . . . . . 18.1 m -65.63 -71.81 0.18 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 9.28 110.346 179.568 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 74' ' ' LEU . . . . . 0.699 HD12 ' HB2' ' D' ' 62' ' ' GLN . 14.3 mt -49.9 -35.26 23.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 13.03 111.025 -179.968 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' C' C ' 75' ' ' LYS . . . . . 0.437 ' CB ' ' O ' ' C' ' 71' ' ' PHE . 12.3 tttt -54.29 -71.44 0.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.223 -0.444 . . . . 16.33 110.085 179.355 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' C' C ' 76' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.32 -30.11 69.3 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.747 -0.66 . . . . 18.87 110.779 179.691 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' C' C ' 77' ' ' LEU . . . . . 0.628 HD12 ' C ' ' C' ' 77' ' ' LEU . 0.7 OUTLIER -65.45 -66.44 0.55 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.371 -0.377 . . . . 21.51 110.64 179.955 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' C' C ' 78' ' ' TYR . . . . . 0.615 ' OH ' HG13 ' B' ' 70' ' ' VAL . 19.1 m-85 -54.1 -23.37 13.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.467 -0.333 . . . . 27.58 110.831 179.905 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 4.7 mmtp -74.7 -29.3 61.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.921 0.391 . . . . 24.77 110.597 179.765 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.1 -33.6 70.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.993 -0.548 . . . . 29.9 110.958 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' C' C ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 33.95 110.819 179.993 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.886 0.374 . . . . 32.04 110.864 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.39 -56.36 21.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 28.73 110.603 179.808 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.31 -39.04 91.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.018 -0.537 . . . . 34.29 110.316 179.595 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' D' D ' 57' ' ' ARG . . . . . . . . . . . . . 10.4 ttm180 -65.77 -33.74 76.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.098 -0.501 . . . . 25.27 110.148 179.389 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 58' ' ' LEU . . . . . 0.441 HD22 HG23 ' B' ' 73' ' ' THR . 11.5 mt -65.91 -58.96 4.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.822 -0.626 . . . . 22.13 110.729 179.805 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' D' D ' 59' ' ' ALA . . . . . . . . . . . . . . . -46.11 -37.76 7.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.877 -0.601 . . . . 20.28 110.948 179.817 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.55 -47.99 82.38 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.897 -0.592 . . . . 22.66 110.337 179.531 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' D' D ' 61' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -66.81 -31.99 72.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.076 -0.511 . . . . 15.58 110.333 179.546 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 62' ' ' GLN . . . . . 0.699 ' HB2' HD12 ' C' ' 74' ' ' LEU . 15.5 mm-40 -71.59 -44.42 64.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.112 -0.495 . . . . 10.11 110.479 179.464 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' D' D ' 63' ' ' SER . . . . . . . . . . . . . 1.3 m -62.19 -55.87 24.34 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.04 -0.527 . . . . 15.8 110.629 179.884 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 64' ' ' GLU . . . . . . . . . . . . . 20.4 pt-20 -51.14 -33.32 26.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.106 -0.497 . . . . 15.88 110.649 179.815 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 65' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -64.98 -42.46 94.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 10.11 110.587 179.678 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' D' D ' 66' ' ' VAL . . . . . 0.54 HG23 ' O ' ' D' ' 62' ' ' GLN . 3.6 t -64.28 -37.91 81.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.208 -0.451 . . . . 7.56 111.06 179.884 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' D' D ' 67' ' ' LYS . . . . . . . . . . . . . 25.3 ttmt -54.82 -61.94 1.98 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.037 -0.528 . . . . 8.23 110.809 179.962 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 68' ' ' LYS . . . . . . . . . . . . . 1.3 tttm -50.9 -36.1 36.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 10.38 110.829 179.89 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 69' ' ' MET . . . . . . . . . . . . . 29.2 ttp -68.13 -49.34 61.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.005 -0.543 . . . . 11.54 111.01 -179.922 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 70' ' ' VAL . . . . . 0.61 HG13 ' OH ' ' A' ' 78' ' ' TYR . 61.5 t -74.86 -23.81 17.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.275 -0.42 . . . . 11.61 111.194 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 18.1 t80 -65.45 -35.53 81.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.924 0.393 . . . . 18.17 110.651 179.879 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -74.74 -45.08 46.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.11 -0.495 . . . . 25.01 110.751 179.821 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 73' ' ' THR . . . . . 0.433 HG23 HD22 ' B' ' 58' ' ' LEU . 57.2 m -58.04 -53.61 56.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.105 -0.498 . . . . 25.05 110.886 179.95 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' D' D ' 74' ' ' LEU . . . . . 0.519 HD23 HD12 ' D' ' 77' ' ' LEU . 54.6 mt -55.97 -40.72 73.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.291 -0.413 . . . . 26.4 110.792 -179.982 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' D' D ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.45 -47.49 48.22 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.258 -0.428 . . . . 27.3 110.703 179.822 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' D' D ' 76' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -71.77 -33.43 68.61 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.852 -0.613 . . . . 28.03 110.647 179.748 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 77' ' ' LEU . . . . . 0.519 HD12 HD23 ' D' ' 74' ' ' LEU . 16.2 mt -62.46 -49.58 74.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.027 -0.533 . . . . 28.77 110.812 179.837 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' D' D ' 78' ' ' TYR . . . . . 0.645 ' HB3' ' HB1' ' C' ' 55' ' ' ALA . 22.9 m-85 -75.9 -29.79 58.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.267 -0.424 . . . . 32.8 110.912 180.0 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' D' D ' 79' ' ' LYS . . . . . . . . . . . . . 17.6 tppt? . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.127 -0.488 . . . . 43.75 110.888 179.972 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.179 0 CA-C-O 120.844 0.354 . . . . 35.04 110.734 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -63.98 -51.67 63.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 29.94 110.51 179.625 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 44.3 mtp180 -61.48 -44.42 97.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.01 -0.541 . . . . 37.84 110.265 179.558 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.473 HD23 ' HA ' ' A' ' 58' ' ' LEU . 10.7 mt -54.07 -51.41 64.2 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.813 -0.63 . . . . 30.02 110.451 179.675 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.478 ' HA ' HD13 ' B' ' 74' ' ' LEU . . . -51.69 -34.18 37.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 21.26 110.676 179.669 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.2 -29.55 66.42 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.079 -0.51 . . . . 17.9 110.504 179.659 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.67 -47.05 27.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.1 -0.5 . . . . 19.79 110.618 179.796 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.556 ' HA ' HD12 ' A' ' 65' ' ' LEU . 49.1 mm-40 -55.33 -49.72 71.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.956 -0.565 . . . . 22.66 110.608 179.735 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.2 m -59.24 -36.91 76.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.116 -0.493 . . . . 17.73 110.571 179.699 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.421 ' O ' ' HG2' ' A' ' 67' ' ' LYS . 2.8 tt0 -58.03 -28.88 64.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.043 -0.526 . . . . 25.28 110.539 179.783 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.556 HD12 ' HA ' ' A' ' 62' ' ' GLN . 10.8 mt -77.26 -32.56 55.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.09 -0.504 . . . . 19.93 110.239 179.493 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 43.3 t -78.6 -40.86 24.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.902 -0.59 . . . . 14.55 110.763 179.624 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.421 ' HG2' ' O ' ' A' ' 64' ' ' GLU . 10.3 ptmt -61.75 -44.79 96.21 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.109 -0.496 . . . . 7.98 110.486 179.846 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.44 ' HG3' ' N ' ' A' ' 69' ' ' MET . 2.7 pttp -62.26 -41.34 98.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.07 -0.514 . . . . 14.53 110.445 179.662 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.666 ' HE2' HG21 ' C' ' 73' ' ' THR . 27.7 ttp -62.81 -39.6 94.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.081 -0.509 . . . . 9.07 110.34 179.494 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 65.2 t -71.54 -42.23 72.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.899 -0.591 . . . . 9.03 110.553 179.569 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.426 ' O ' ' CB ' ' A' ' 75' ' ' LYS . 50.7 t80 -53.41 -60.1 3.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.314 -0.403 . . . . 17.57 110.305 179.681 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -51.83 -44.93 63.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.254 -0.43 . . . . 14.09 110.461 179.753 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.638 HG21 ' HE2' ' C' ' 69' ' ' MET . 19.6 m -64.92 -70.56 0.22 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 9.07 110.348 179.638 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.734 HD12 ' HB2' ' B' ' 62' ' ' GLN . 12.3 mt -49.31 -35.23 17.56 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.144 -0.48 . . . . 12.87 111.013 179.921 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.426 ' CB ' ' O ' ' A' ' 71' ' ' PHE . 5.5 tttp -54.53 -70.51 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.099 -0.501 . . . . 16.02 110.292 179.667 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -61.98 -25.17 67.47 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.799 -0.637 . . . . 18.56 110.95 179.87 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.862 ' O ' HD12 ' A' ' 77' ' ' LEU . 0.8 OUTLIER -72.19 -44.28 63.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.397 -0.365 . . . . 21.43 110.978 -179.752 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.515 ' OH ' HG13 ' D' ' 70' ' ' VAL . 14.8 m-85 -72.65 -24.09 61.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.859 0.362 . . . . 27.33 110.77 179.703 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -74.91 -30.85 61.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 24.52 110.346 179.512 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 12.1 tttm -71.32 -33.26 69.5 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.943 -0.572 . . . . 29.7 110.796 179.807 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 33.71 110.893 179.864 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.664 0.269 . . . . 32.75 111.179 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.48 -46.44 86.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.414 -0.357 . . . . 29.28 111.176 179.994 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.34 -55.76 14.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 33.3 110.98 -179.86 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 20.3 mmt180 -49.81 -31.91 12.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 26.06 111.054 -179.927 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . 0.687 HD22 HG23 ' D' ' 73' ' ' THR . 20.5 mt -69.75 -60.52 2.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 22.42 111.159 -179.973 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -44.33 -28.9 0.59 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.004 -0.544 . . . . 20.67 111.353 -179.854 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -73.96 -45.67 48.77 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.101 -0.499 . . . . 22.1 110.749 179.761 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -61.77 -33.5 74.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.264 -0.426 . . . . 13.25 110.766 179.833 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . 0.734 ' HB2' HD12 ' A' ' 74' ' ' LEU . 3.9 mm-40 -70.79 -50.1 39.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.193 -0.458 . . . . 10.43 110.747 179.833 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 1.3 m -51.54 -58.0 7.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.283 -0.417 . . . . 16.19 110.534 179.872 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . 0.4 ' HG3' ' N ' ' B' ' 65' ' ' LEU . 8.8 pt-20 -52.38 -33.48 43.51 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 116.106 -0.497 . . . . 16.14 110.554 179.709 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . 0.4 ' N ' ' HG3' ' B' ' 64' ' ' GLU . 0.2 OUTLIER -69.66 -45.59 68.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.992 -0.549 . . . . 9.76 110.622 179.797 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . 0.61 HG23 ' O ' ' B' ' 62' ' ' GLN . 17.8 t -63.63 -33.88 64.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.154 -0.475 . . . . 7.52 111.028 179.821 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.62 -56.04 24.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 8.45 110.815 179.914 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.94 -35.43 61.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.224 -0.443 . . . . 11.73 110.724 179.799 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 69' ' ' MET . . . . . . . . . . . . . 35.6 ttp -67.1 -50.71 60.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.114 -0.494 . . . . 11.51 110.867 179.979 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.518 HG13 ' OH ' ' C' ' 78' ' ' TYR . 51.4 t -74.27 -24.26 18.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.03 -0.532 . . . . 11.48 111.213 -179.891 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -60.74 -45.78 92.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.266 -0.424 . . . . 17.94 110.698 179.723 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -69.23 -40.86 77.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 25.19 110.59 179.813 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 73' ' ' THR . . . . . 0.667 HG23 HD22 ' D' ' 58' ' ' LEU . 52.9 m -57.06 -45.92 82.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.453 . . . . 24.89 110.661 179.782 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 74' ' ' LEU . . . . . 0.478 HD13 ' HA ' ' A' ' 59' ' ' ALA . 68.7 mt -64.46 -37.73 88.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.487 . . . . 26.7 110.827 179.83 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 2.2 ttpt -51.69 -41.69 61.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 27.19 110.52 179.806 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -77.01 -35.12 57.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.998 -0.546 . . . . 27.91 110.491 179.568 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.446 HD11 ' CD1' ' C' ' 78' ' ' TYR . 13.7 mt -58.88 -49.91 75.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.993 -0.549 . . . . 28.97 110.744 179.664 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -76.23 -42.04 47.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.048 -0.524 . . . . 33.31 110.9 179.908 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 8.9 tttp . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.494 . . . . 45.57 110.963 -179.964 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.871 0.367 . . . . 30.26 110.732 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -64.23 -51.53 63.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.092 -0.504 . . . . 26.52 110.589 179.691 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 57' ' ' ARG . . . . . . . . . . . . . 43.7 mtp180 -61.61 -44.39 97.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.995 -0.548 . . . . 26.34 110.275 179.517 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 58' ' ' LEU . . . . . 0.478 ' HA ' HD23 ' C' ' 58' ' ' LEU . 10.7 mt -53.88 -51.48 63.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.766 -0.652 . . . . 25.82 110.535 179.633 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.68 -34.26 37.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.093 -0.503 . . . . 23.66 110.683 179.785 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.92 -29.98 67.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.053 -0.521 . . . . 25.29 110.578 179.657 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.27 -47.18 29.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.999 -0.546 . . . . 26.74 110.586 179.792 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' C' C ' 62' ' ' GLN . . . . . 0.539 ' HA ' HD12 ' C' ' 65' ' ' LEU . 49.4 mm-40 -55.11 -50.01 70.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.95 -0.568 . . . . 20.48 110.533 179.734 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' C' C ' 63' ' ' SER . . . . . 0.437 ' CB ' ' HG2' ' D' ' 67' ' ' LYS . 1.2 m -59.02 -36.92 75.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.113 -0.494 . . . . 15.84 110.679 179.666 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' C' C ' 64' ' ' GLU . . . . . 0.421 ' O ' ' HG2' ' C' ' 67' ' ' LYS . 2.8 tt0 -58.05 -28.8 64.85 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.058 -0.519 . . . . 18.96 110.56 179.746 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' C' C ' 65' ' ' LEU . . . . . 0.539 HD12 ' HA ' ' C' ' 62' ' ' GLN . 11.0 mt -77.31 -32.63 55.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.032 -0.531 . . . . 15.19 110.191 179.559 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' C' C ' 66' ' ' VAL . . . . . . . . . . . . . 43.4 t -78.59 -40.9 24.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.891 -0.595 . . . . 10.51 110.788 179.605 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 67' ' ' LYS . . . . . 0.421 ' HG2' ' O ' ' C' ' 64' ' ' GLU . 10.2 ptmt -61.56 -44.77 96.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 20.07 110.59 179.719 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' C' C ' 68' ' ' LYS . . . . . 0.434 ' HG3' ' N ' ' C' ' 69' ' ' MET . 2.7 pttp -62.38 -41.37 98.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.107 -0.497 . . . . 18.34 110.45 179.581 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' C' C ' 69' ' ' MET . . . . . 0.638 ' HE2' HG21 ' A' ' 73' ' ' THR . 28.2 ttp -62.74 -39.63 94.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.061 -0.518 . . . . 7.88 110.248 179.542 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 68.4 t -71.58 -42.35 71.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.962 -0.563 . . . . 3.85 110.528 179.625 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 71' ' ' PHE . . . . . 0.423 ' O ' ' CB ' ' C' ' 75' ' ' LYS . 50.9 t80 -53.23 -60.38 3.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.301 -0.409 . . . . 12.6 110.284 179.682 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -51.57 -44.91 62.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 7.75 110.5 179.764 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 73' ' ' THR . . . . . 0.666 HG21 ' HE2' ' A' ' 69' ' ' MET . 19.5 m -64.98 -70.64 0.22 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.11 -0.496 . . . . 13.76 110.369 179.63 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' C' C ' 74' ' ' LEU . . . . . 0.758 HD12 ' HB2' ' D' ' 62' ' ' GLN . 12.1 mt -49.38 -35.04 17.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 18.68 110.991 179.938 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' C' C ' 75' ' ' LYS . . . . . 0.423 ' CB ' ' O ' ' C' ' 71' ' ' PHE . 5.4 tttp -54.54 -70.56 0.1 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.171 -0.468 . . . . 21.51 110.275 179.586 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' C' C ' 76' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -61.86 -25.52 67.58 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.752 -0.658 . . . . 14.7 111.004 179.853 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 77' ' ' LEU . . . . . 0.857 ' O ' HD12 ' C' ' 77' ' ' LEU . 0.8 OUTLIER -71.75 -44.33 64.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.366 -0.379 . . . . 19.7 110.951 -179.787 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' C' C ' 78' ' ' TYR . . . . . 0.518 ' OH ' HG13 ' B' ' 70' ' ' VAL . 14.7 m-85 -72.69 -24.26 60.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.422 -0.354 . . . . 25.31 110.611 179.843 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -74.79 -30.74 61.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.284 -0.416 . . . . 27.49 110.411 179.541 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 11.9 tttm -71.38 -33.27 69.37 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.918 -0.583 . . . . 29.02 110.842 179.746 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.238 0 CA-C-N 116.102 -0.499 . . . . 33.46 110.92 179.948 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.702 0.287 . . . . 34.71 111.141 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' D' D ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.56 -46.41 86.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.421 -0.354 . . . . 33.95 111.131 -179.942 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.28 -55.76 14.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.431 . . . . 30.49 110.983 -179.923 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' D' D ' 57' ' ' ARG . . . . . . . . . . . . . 20.3 mmt180 -49.7 -32.33 13.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 29.75 110.989 -179.842 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' D' D ' 58' ' ' LEU . . . . . 0.667 HD22 HG23 ' B' ' 73' ' ' THR . 20.1 mt -69.49 -61.13 1.91 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 19.42 111.083 -179.857 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' D' D ' 59' ' ' ALA . . . . . . . . . . . . . . . -43.58 -29.27 0.46 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.901 -0.591 . . . . 18.31 111.33 -179.96 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' D' D ' 60' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -73.83 -45.84 48.77 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.039 -0.528 . . . . 23.15 110.808 179.769 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' D' D ' 61' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -61.51 -33.69 74.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 15.97 110.795 179.836 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' D' D ' 62' ' ' GLN . . . . . 0.758 ' HB2' HD12 ' C' ' 74' ' ' LEU . 3.8 mm-40 -70.65 -50.4 37.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.485 . . . . 14.94 110.739 179.846 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' D' D ' 63' ' ' SER . . . . . . . . . . . . . 1.2 m -51.09 -57.96 7.32 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.347 -0.388 . . . . 14.24 110.602 179.854 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' D' D ' 64' ' ' GLU . . . . . 0.4 ' HG3' ' N ' ' D' ' 65' ' ' LEU . 8.9 pt-20 -52.4 -33.39 43.35 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 116.043 -0.526 . . . . 12.38 110.58 179.604 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' D' D ' 65' ' ' LEU . . . . . 0.4 ' N ' ' HG3' ' D' ' 64' ' ' GLU . 0.2 OUTLIER -69.58 -45.67 68.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.995 -0.548 . . . . 5.69 110.678 179.687 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' D' D ' 66' ' ' VAL . . . . . 0.587 HG23 ' O ' ' D' ' 62' ' ' GLN . 17.4 t -63.53 -34.01 64.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.056 -0.52 . . . . 7.43 111.062 179.828 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' D' D ' 67' ' ' LYS . . . . . 0.437 ' HG2' ' CB ' ' C' ' 63' ' ' SER . 0.0 OUTLIER -61.51 -56.15 23.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 18.63 110.779 179.903 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' D' D ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.96 -35.38 61.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 17.1 110.802 179.906 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' D' D ' 69' ' ' MET . . . . . 0.424 ' CE ' ' HB3' ' B' ' 62' ' ' GLN . 36.4 ttp -67.22 -50.52 60.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.111 -0.495 . . . . 12.79 110.884 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' D' D ' 70' ' ' VAL . . . . . 0.515 HG13 ' OH ' ' A' ' 78' ' ' TYR . 52.1 t -74.27 -24.37 18.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.055 -0.521 . . . . 15.42 111.17 -179.905 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 31.2 t80 -60.79 -45.8 92.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 24.4 110.642 179.811 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -69.11 -40.9 78.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 28.21 110.561 179.775 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' D' D ' 73' ' ' THR . . . . . 0.687 HG23 HD22 ' B' ' 58' ' ' LEU . 51.8 m -56.96 -45.94 82.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 20.28 110.768 179.759 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' D' D ' 74' ' ' LEU . . . . . . . . . . . . . 67.6 mt -64.51 -37.71 88.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 22.27 110.754 179.897 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' D' D ' 75' ' ' LYS . . . . . . . . . . . . . 2.1 ttpt -51.56 -41.92 61.47 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.2 -0.455 . . . . 29.18 110.462 179.781 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' D' D ' 76' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -76.93 -35.02 57.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.967 -0.561 . . . . 31.29 110.495 179.675 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' D' D ' 77' ' ' LEU . . . . . 0.477 HD11 ' CD1' ' A' ' 78' ' ' TYR . 13.6 mt -59.05 -49.83 76.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.009 -0.542 . . . . 30.67 110.758 179.667 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' D' D ' 78' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -76.17 -42.05 47.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.103 -0.499 . . . . 33.62 110.896 179.907 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' D' D ' 79' ' ' LYS . . . . . . . . . . . . . 8.8 tttp . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.084 -0.507 . . . . 40.28 110.94 -179.909 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.16 0 CA-C-O 120.808 0.337 . . . . 31.48 110.723 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.07 -50.83 52.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.095 -0.502 . . . . 28.3 110.495 179.585 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 2.4 mmt180 -63.43 -44.42 94.63 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.975 -0.557 . . . . 28.42 110.316 179.528 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.505 HD23 ' HA ' ' A' ' 58' ' ' LEU . 11.6 mt -53.8 -50.72 65.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.872 -0.604 . . . . 30.46 110.433 179.486 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.52 -38.06 52.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.046 -0.525 . . . . 24.51 110.85 179.771 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.66 -26.39 37.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.021 -0.536 . . . . 24.97 110.66 179.852 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -73.24 -51.3 18.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 26.6 110.696 179.874 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.529 ' HB2' HD13 ' B' ' 74' ' ' LEU . 55.5 mm-40 -61.39 -36.05 79.2 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.019 -0.537 . . . . 18.69 110.754 179.8 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 24.8 p -65.04 -36.83 85.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 16.33 110.64 179.794 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -56.39 -55.53 32.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.431 . . . . 19.84 110.646 179.824 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.9 mt -51.08 -38.0 49.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 18.9 110.578 179.719 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 64.8 t -69.96 -50.6 47.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.049 -0.523 . . . . 10.35 110.925 179.83 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 24.0 tttm -57.65 -41.43 81.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.121 -0.491 . . . . 15.84 110.823 179.9 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 15.6 ttpt -60.44 -38.27 83.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 22.14 110.608 179.753 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 36.1 ttp -64.42 -44.62 90.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 9.14 110.556 179.632 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.602 HG21 HG21 ' B' ' 66' ' ' VAL . 92.9 t -66.89 -43.57 89.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.143 -0.48 . . . . 7.3 110.994 179.93 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.421 ' O ' ' CB ' ' A' ' 75' ' ' LYS . 21.1 t80 -53.41 -60.62 3.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.812 0.339 . . . . 18.89 110.591 179.972 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -53.14 -42.39 66.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.384 -0.371 . . . . 11.53 110.556 179.82 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 20.7 m -66.96 -69.52 0.3 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.435 . . . . 10.63 110.277 179.635 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.471 ' HG ' HG13 ' A' ' 70' ' ' VAL . 13.5 mt -50.67 -37.11 39.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.048 -0.524 . . . . 18.05 111.185 179.936 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.421 ' CB ' ' O ' ' A' ' 71' ' ' PHE . 3.9 tttp -52.98 -71.06 0.07 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.105 0.479 . . . . 20.97 110.05 179.405 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -61.28 -32.28 72.12 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.582 -0.736 . . . . 17.38 110.934 179.83 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.633 ' O ' HD12 ' A' ' 77' ' ' LEU . 0.7 OUTLIER -61.94 -58.78 6.61 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.435 -0.348 . . . . 19.73 110.722 -179.937 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.449 ' CE2' ' HB3' ' A' ' 74' ' ' LEU . 21.0 m-85 -62.4 -23.61 66.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.321 -0.4 . . . . 26.67 110.905 179.799 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.67 -33.13 62.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.318 -0.401 . . . . 27.62 110.609 179.772 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 8.7 tmtt? -69.39 -34.79 75.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.099 -0.501 . . . . 31.15 110.81 179.868 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.132 -0.486 . . . . 34.06 110.935 -179.999 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.835 0.35 . . . . 31.77 110.934 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -51.7 -42.42 62.2 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.157 -0.474 . . . . 31.25 110.764 179.77 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 9.5 tm-20 -72.41 -35.55 68.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.072 -0.513 . . . . 29.27 110.674 179.704 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 3.7 mpt_? -65.73 -36.61 84.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 21.99 110.687 179.791 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . 0.952 HD13 ' CG2' ' D' ' 73' ' ' THR . 78.0 mt -67.4 -51.59 50.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.015 -0.539 . . . . 17.79 110.647 179.872 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 59' ' ' ALA . . . . . 0.409 ' O ' ' CB ' ' B' ' 63' ' ' SER . . . -49.98 -37.45 32.45 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.972 -0.558 . . . . 18.68 110.983 179.799 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 60' ' ' ASP . . . . . 0.419 ' HA ' ' HG ' ' B' ' 63' ' ' SER . 33.2 t0 -70.86 -50.69 32.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 22.93 110.926 179.845 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -62.36 -38.29 88.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 16.15 110.683 179.699 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . 0.471 ' HB3' ' CD1' ' A' ' 74' ' ' LEU . 0.2 OUTLIER -76.44 -41.93 45.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.034 -0.53 . . . . 14.36 110.818 179.812 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' B' B ' 63' ' ' SER . . . . . 0.419 ' HG ' ' HA ' ' B' ' 60' ' ' ASP . 79.5 p -66.17 -54.61 23.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.297 -0.41 . . . . 12.88 110.531 179.791 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -51.24 -38.26 51.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.137 -0.483 . . . . 7.8 110.698 179.735 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.77 -42.9 94.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.019 -0.537 . . . . 5.81 110.68 179.79 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . 0.739 HG13 ' CE ' ' B' ' 69' ' ' MET . 59.1 t -58.53 -36.05 57.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 5.82 110.908 179.859 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 67' ' ' LYS . . . . . 0.421 ' O ' ' HB2' ' B' ' 71' ' ' PHE . 7.1 ttpt -69.26 -31.78 70.55 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.129 -0.487 . . . . 14.13 110.643 179.842 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 12.9 tttt -74.56 -38.74 62.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.079 -0.51 . . . . 17.83 110.794 179.948 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 69' ' ' MET . . . . . 0.739 ' CE ' HG13 ' B' ' 66' ' ' VAL . 20.8 ptt? -74.42 -36.01 63.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.327 -0.397 . . . . 12.91 110.739 179.951 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.662 HG23 ' O ' ' B' ' 66' ' ' VAL . 58.3 t -80.14 -31.79 13.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.082 -0.508 . . . . 15.42 111.174 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.421 ' HB2' ' O ' ' B' ' 67' ' ' LYS . 14.0 t80 -58.85 -53.0 63.34 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.324 -0.398 . . . . 24.69 110.589 179.707 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.36 -44.69 96.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 28.54 110.68 179.769 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 73' ' ' THR . . . . . 0.966 ' CG2' HD13 ' D' ' 58' ' ' LEU . 63.5 m -56.47 -62.14 1.93 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.111 -0.495 . . . . 22.92 110.82 179.764 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 74' ' ' LEU . . . . . 0.529 HD13 ' HB2' ' A' ' 62' ' ' GLN . 49.4 mt -50.57 -39.29 49.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 20.99 110.96 -179.924 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 2.1 ttpt -49.89 -49.11 50.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.939 0.4 . . . . 25.81 110.61 179.919 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -70.55 -37.54 74.05 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.921 -0.582 . . . . 30.26 110.694 179.716 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.465 HD12 ' HA ' ' B' ' 74' ' ' LEU . 9.7 mt -56.2 -50.03 72.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.049 -0.523 . . . . 30.32 110.967 179.845 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 39.3 m-85 -71.16 -43.84 66.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 31.34 110.98 -179.946 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.46 . . . . 41.4 110.949 -179.936 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.156 0 CA-C-O 120.875 0.369 . . . . 34.74 110.724 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.36 -50.73 51.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.083 -0.508 . . . . 30.14 110.43 179.624 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' C' C ' 57' ' ' ARG . . . . . . . . . . . . . 2.4 mmt180 -63.5 -44.34 94.61 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.038 -0.528 . . . . 36.5 110.245 179.577 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 58' ' ' LEU . . . . . 0.486 HD23 ' HA ' ' C' ' 58' ' ' LEU . 11.4 mt -53.89 -50.77 65.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.831 -0.622 . . . . 25.16 110.456 179.551 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.62 -37.91 52.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.966 -0.561 . . . . 20.25 110.809 179.724 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.59 -26.59 37.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.036 -0.529 . . . . 20.91 110.704 179.775 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -73.07 -51.22 18.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.06 -0.518 . . . . 22.79 110.731 179.885 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 62' ' ' GLN . . . . . 0.44 ' HB2' HD13 ' D' ' 74' ' ' LEU . 56.0 mm-40 -61.53 -35.96 79.22 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.952 -0.567 . . . . 25.31 110.738 179.865 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' C' C ' 63' ' ' SER . . . . . . . . . . . . . 24.7 p -65.16 -36.94 85.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 17.18 110.67 179.856 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -56.21 -55.43 33.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 26.2 110.653 179.79 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 65' ' ' LEU . . . . . . . . . . . . . 1.9 mt -51.3 -37.97 50.37 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.14 -0.482 . . . . 17.34 110.573 179.75 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 66' ' ' VAL . . . . . . . . . . . . . 64.2 t -69.86 -50.73 46.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.017 -0.538 . . . . 15.03 110.912 179.768 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 67' ' ' LYS . . . . . . . . . . . . . 24.0 tttm -57.5 -41.44 80.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.047 -0.524 . . . . 12.56 110.853 179.826 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 68' ' ' LYS . . . . . . . . . . . . . 15.6 ttpt -60.39 -38.31 83.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.438 . . . . 12.57 110.62 179.78 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 69' ' ' MET . . . . . . . . . . . . . 36.1 ttp -64.46 -44.73 90.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.071 -0.513 . . . . 7.66 110.561 179.688 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 70' ' ' VAL . . . . . 0.514 HG21 HG21 ' D' ' 66' ' ' VAL . 94.0 t -66.71 -43.58 90.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 8.98 111.032 179.821 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' C' C ' 71' ' ' PHE . . . . . 0.429 ' O ' ' CB ' ' C' ' 75' ' ' LYS . 21.1 t80 -53.44 -60.56 3.14 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.956 -0.297 . . . . 10.15 110.608 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -53.21 -42.1 65.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.33 -0.396 . . . . 11.37 110.564 179.884 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 73' ' ' THR . . . . . . . . . . . . . 20.7 m -67.3 -69.45 0.31 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 12.86 110.285 179.653 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 74' ' ' LEU . . . . . 0.468 ' HG ' HG13 ' C' ' 70' ' ' VAL . 13.3 mt -50.7 -36.96 38.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.059 -0.519 . . . . 14.26 111.127 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' C' C ' 75' ' ' LYS . . . . . 0.429 ' CB ' ' O ' ' C' ' 71' ' ' PHE . 3.9 tttp -53.12 -71.24 0.07 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.084 0.469 . . . . 13.37 110.011 179.298 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' C' C ' 76' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -61.24 -32.04 71.83 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.643 -0.708 . . . . 16.71 110.951 179.807 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 77' ' ' LEU . . . . . 0.631 ' O ' HD12 ' C' ' 77' ' ' LEU . 0.8 OUTLIER -62.08 -58.7 6.83 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.501 -0.318 . . . . 21.15 110.815 179.961 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' C' C ' 78' ' ' TYR . . . . . 0.443 ' CE2' ' HB3' ' C' ' 74' ' ' LEU . 20.9 m-85 -62.47 -23.64 67.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 23.99 110.901 179.822 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.68 -33.04 62.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.358 -0.383 . . . . 28.1 110.612 179.789 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 8.8 tmtt? -69.47 -34.81 74.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.085 -0.507 . . . . 26.95 110.772 179.877 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 32.96 110.887 -179.97 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.847 0.356 . . . . 33.32 110.922 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' D' D ' 55' ' ' ALA . . . . . . . . . . . . . . . -51.87 -42.37 62.6 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.156 -0.474 . . . . 30.69 110.749 179.848 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 9.5 tm-20 -72.49 -35.57 68.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.038 -0.528 . . . . 29.44 110.668 179.743 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' D' D ' 57' ' ' ARG . . . . . . . . . . . . . 3.7 mpt_? -65.73 -36.34 83.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.074 -0.512 . . . . 30.24 110.73 179.761 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' D' D ' 58' ' ' LEU . . . . . 0.966 HD13 ' CG2' ' B' ' 73' ' ' THR . 77.2 mt -67.72 -51.21 52.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.057 -0.52 . . . . 21.79 110.657 179.815 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' D' D ' 59' ' ' ALA . . . . . 0.409 ' O ' ' CB ' ' D' ' 63' ' ' SER . . . -50.34 -37.53 37.33 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.013 -0.539 . . . . 18.87 110.866 179.928 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' D' D ' 60' ' ' ASP . . . . . 0.411 ' HA ' ' HG ' ' D' ' 63' ' ' SER . 31.0 t0 -70.88 -50.15 38.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.09 -0.505 . . . . 16.21 110.876 179.986 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' D' D ' 61' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -62.92 -38.3 90.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.882 0.372 . . . . 10.91 110.614 179.701 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' D' D ' 62' ' ' GLN . . . . . 0.448 ' HB3' ' CD1' ' C' ' 74' ' ' LEU . 0.3 OUTLIER -76.11 -42.11 48.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.028 -0.533 . . . . 11.28 110.741 179.806 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' D' D ' 63' ' ' SER . . . . . 0.411 ' HG ' ' HA ' ' D' ' 60' ' ' ASP . 80.2 p -66.17 -55.0 18.49 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.228 -0.442 . . . . 16.59 110.597 179.775 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' D' D ' 64' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -50.85 -38.3 48.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.099 -0.5 . . . . 16.44 110.733 179.732 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' D' D ' 65' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.79 -42.93 94.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.04 -0.527 . . . . 8.91 110.745 179.782 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' D' D ' 66' ' ' VAL . . . . . 0.739 HG13 ' CE ' ' D' ' 69' ' ' MET . 58.5 t -58.57 -35.74 56.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.059 -0.518 . . . . 9.4 111.021 179.791 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' D' D ' 67' ' ' LYS . . . . . 0.419 ' O ' ' HB2' ' D' ' 71' ' ' PHE . 7.1 ttpt -69.53 -31.86 70.33 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.085 -0.507 . . . . 15.99 110.65 179.797 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' D' D ' 68' ' ' LYS . . . . . . . . . . . . . 13.0 tttt -74.37 -38.85 63.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.047 -0.524 . . . . 9.81 110.785 179.871 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' D' D ' 69' ' ' MET . . . . . 0.739 ' CE ' HG13 ' D' ' 66' ' ' VAL . 20.8 ptt? -74.36 -36.07 63.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.328 -0.397 . . . . 10.89 110.771 179.962 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' D' D ' 70' ' ' VAL . . . . . 0.67 HG23 ' O ' ' D' ' 66' ' ' VAL . 59.0 t -80.02 -31.83 13.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.477 . . . . 11.55 111.111 179.947 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' D' D ' 71' ' ' PHE . . . . . 0.419 ' HB2' ' O ' ' D' ' 67' ' ' LYS . 14.0 t80 -58.84 -53.3 59.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.341 -0.391 . . . . 18.53 110.61 179.763 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.86 -45.0 96.25 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.234 -0.439 . . . . 24.0 110.723 179.641 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' D' D ' 73' ' ' THR . . . . . 0.952 ' CG2' HD13 ' B' ' 58' ' ' LEU . 63.1 m -56.16 -62.28 1.82 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.084 -0.507 . . . . 22.71 110.876 179.724 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' D' D ' 74' ' ' LEU . . . . . 0.485 ' CD1' HG12 ' D' ' 70' ' ' VAL . 49.0 mt -50.55 -39.31 48.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 26.96 110.989 -179.91 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' D' D ' 75' ' ' LYS . . . . . . . . . . . . . 2.0 ttpt -49.87 -48.9 51.06 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.26 -0.427 . . . . 29.38 110.761 179.899 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' D' D ' 76' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -70.71 -37.44 73.55 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.916 -0.584 . . . . 29.2 110.718 179.712 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' D' D ' 77' ' ' LEU . . . . . 0.469 HD12 ' HA ' ' D' ' 74' ' ' LEU . 9.8 mt -56.29 -50.17 72.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.072 -0.513 . . . . 28.68 110.934 179.745 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' D' D ' 78' ' ' TYR . . . . . . . . . . . . . 39.0 m-85 -70.91 -43.97 67.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 34.37 111.0 -179.921 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' D' D ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 42.46 110.967 -179.908 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.523 ' HB1' ' CB ' ' B' ' 78' ' ' TYR . . . . . . . . 0 N--CA 1.457 -0.111 0 CA-C-O 120.866 0.365 . . . . 31.18 110.442 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -71.13 -54.86 9.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.017 -0.538 . . . . 27.26 110.212 179.34 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 1.7 mtp85 -60.81 -40.43 92.68 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.791 -0.641 . . . . 28.77 110.216 179.412 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.453 HD23 ' HA ' ' A' ' 58' ' ' LEU . 14.6 mt -61.7 -52.83 62.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.853 -0.612 . . . . 24.99 110.744 179.661 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -49.13 -30.18 6.32 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.101 -0.5 . . . . 23.2 111.082 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -81.41 -28.72 34.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.428 . . . . 25.47 110.701 179.821 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -78.15 -47.66 17.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 28.43 110.674 179.846 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.568 ' HB2' HD13 ' B' ' 74' ' ' LEU . 50.8 mm-40 -59.37 -45.46 91.37 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.883 -0.599 . . . . 22.27 110.762 179.915 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 82.1 p -62.31 -35.78 80.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 16.14 110.763 179.757 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -58.27 -38.69 77.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 20.34 110.785 179.767 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.8 mt -63.73 -45.01 91.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 14.75 110.724 179.821 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 41.8 t -64.32 -40.6 89.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.071 -0.513 . . . . 10.73 111.012 179.906 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.405 ' HG3' ' HB2' ' B' ' 63' ' ' SER . 35.1 tttt -59.67 -51.18 70.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 19.72 110.715 179.86 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.0 ttmt -55.66 -38.24 69.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 18.69 110.523 179.751 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 47.4 ttp -63.1 -39.62 95.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.096 -0.502 . . . . 7.14 110.585 179.706 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 24.6 t -72.96 -45.65 54.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 5.1 110.631 179.799 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.431 ' O ' ' HB2' ' A' ' 75' ' ' LYS . 22.0 t80 -51.49 -72.97 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.941 -0.392 . . . . 9.45 109.941 179.429 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -44.52 -34.51 2.13 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.257 -0.428 . . . . 8.58 110.947 179.482 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.0 m -68.12 -73.53 0.14 Allowed 'General case' 0 N--CA 1.454 -0.246 0 CA-C-O 120.963 0.411 . . . . 14.36 110.179 179.501 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.684 HD12 ' HB2' ' B' ' 62' ' ' GLN . 21.1 mt -51.04 -32.05 20.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.997 -0.547 . . . . 18.43 111.103 179.863 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.431 ' HB2' ' O ' ' A' ' 71' ' ' PHE . 2.2 ttmt -54.67 -62.07 1.9 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.317 -0.401 . . . . 18.73 110.517 179.711 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.15 -32.67 72.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.072 -0.513 . . . . 14.42 110.766 179.801 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.624 ' C ' HD12 ' A' ' 77' ' ' LEU . 0.6 OUTLIER -66.72 -65.55 0.67 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.109 -0.496 . . . . 19.76 110.461 179.889 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.789 ' OH ' HG13 ' D' ' 70' ' ' VAL . 21.1 m-30 -54.81 -26.34 34.21 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.871 0.367 . . . . 24.56 110.686 179.647 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 3.5 mttt -66.81 -40.97 88.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.091 -0.504 . . . . 29.43 110.929 179.978 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 5.0 ttpt -68.19 -33.73 74.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.224 -0.444 . . . . 28.41 110.833 -179.985 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.408 ' OG1' ' HA ' ' A' ' 78' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 33.57 110.893 179.92 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 6.4 t70 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.792 0.329 . . . . 34.77 111.001 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.75 -48.19 82.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 33.88 111.114 -179.874 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -63.28 -44.26 95.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.258 -0.428 . . . . 30.08 110.802 -179.987 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 65.8 mtt-85 -62.12 -37.06 83.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.425 . . . . 30.22 110.801 179.944 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . 0.726 HD22 HG23 ' D' ' 73' ' ' THR . 36.2 mt -62.79 -53.72 50.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.005 -0.543 . . . . 19.83 110.749 179.911 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -50.78 -40.32 54.88 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.896 -0.593 . . . . 17.5 111.045 -179.962 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 60' ' ' ASP . . . . . 0.405 ' HA ' ' OG ' ' B' ' 63' ' ' SER . 22.7 t0 -66.04 -34.56 78.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 21.39 110.642 179.953 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.75 -42.63 85.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 14.89 110.448 179.615 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . 0.961 ' O ' HG23 ' B' ' 66' ' ' VAL . 2.5 mm-40 -71.92 -48.36 46.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.943 -0.571 . . . . 14.2 111.262 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 63' ' ' SER . . . . . 0.405 ' HB2' ' HG3' ' A' ' 67' ' ' LYS . 1.8 p -51.76 -52.26 50.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.442 -0.345 . . . . 14.56 111.634 -179.343 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -57.21 -58.51 7.91 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.488 -0.324 . . . . 15.02 111.773 -179.169 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . 0.528 HD21 ' HA ' ' B' ' 62' ' ' GLN . 1.6 pp -52.22 -32.84 38.48 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.869 -0.332 . . . . 5.88 110.821 -179.624 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . 0.961 HG23 ' O ' ' B' ' 62' ' ' GLN . 92.9 t -61.13 -52.3 63.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.865 0.364 . . . . 8.22 111.029 179.805 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 67' ' ' LYS . . . . . 0.429 ' O ' ' HB2' ' B' ' 71' ' ' PHE . 7.8 ttmt -52.45 -35.76 53.14 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.206 -0.452 . . . . 19.83 110.886 -179.79 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.53 -38.43 87.14 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.25 -0.432 . . . . 16.9 111.493 -179.702 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 69' ' ' MET . . . . . 0.716 ' HE1' HG13 ' B' ' 66' ' ' VAL . 2.5 ptt? -68.38 -39.07 81.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.938 0.399 . . . . 12.26 111.069 -179.668 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.773 HG13 ' OH ' ' C' ' 78' ' ' TYR . 61.6 t -87.07 -25.13 6.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.109 -0.496 . . . . 14.94 111.547 -179.466 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.429 ' HB2' ' O ' ' B' ' 67' ' ' LYS . 10.8 t80 -65.18 -36.89 85.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.812 0.339 . . . . 23.07 110.448 179.712 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -78.42 -44.2 25.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 27.4 110.534 179.586 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 73' ' ' THR . . . . . 0.776 HG23 HD22 ' D' ' 58' ' ' LEU . 53.5 m -57.91 -43.09 85.97 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.231 -0.441 . . . . 19.88 110.675 179.738 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 74' ' ' LEU . . . . . 0.568 HD13 ' HB2' ' A' ' 62' ' ' GLN . 50.8 mt -64.45 -42.86 95.71 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.185 -0.462 . . . . 22.93 110.87 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -50.17 -40.61 47.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.446 . . . . 29.67 110.673 179.869 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -80.02 -31.17 39.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.938 -0.574 . . . . 31.12 110.68 179.759 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.62 HD21 HD12 ' D' ' 58' ' ' LEU . 23.9 mt -61.0 -38.06 84.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.014 -0.539 . . . . 29.81 110.839 179.901 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 78' ' ' TYR . . . . . 0.523 ' CB ' ' HB1' ' A' ' 55' ' ' ALA . 4.2 m-85 -84.65 -36.82 21.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 33.82 110.774 179.928 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 2.4 mmmt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.095 -0.502 . . . . 38.51 111.137 -179.984 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' C' C ' 55' ' ' ALA . . . . . 0.456 ' HB1' ' CB ' ' D' ' 78' ' ' TYR . . . . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.852 0.358 . . . . 34.87 110.444 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -71.12 -54.81 9.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.056 -0.52 . . . . 29.96 110.204 179.343 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 57' ' ' ARG . . . . . . . . . . . . . 1.7 mtp85 -60.68 -40.48 92.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.869 -0.605 . . . . 37.01 110.26 179.311 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 58' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' C' ' 58' ' ' LEU . 14.7 mt -61.65 -52.99 62.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.86 -0.609 . . . . 31.1 110.783 179.589 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -49.28 -29.9 6.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.1 -0.5 . . . . 22.01 111.084 -179.935 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -81.57 -28.77 33.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 19.52 110.637 179.731 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -77.98 -47.58 18.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.08 -0.509 . . . . 20.14 110.682 179.826 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' C' C ' 62' ' ' GLN . . . . . 0.598 ' HB2' HD13 ' D' ' 74' ' ' LEU . 51.0 mm-40 -59.48 -45.47 91.58 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.885 -0.598 . . . . 21.42 110.781 179.972 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' C' C ' 63' ' ' SER . . . . . . . . . . . . . 81.9 p -62.32 -35.71 79.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 18.3 110.698 179.85 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -58.43 -38.54 77.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 24.01 110.718 179.914 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 65' ' ' LEU . . . . . . . . . . . . . 1.9 mt -63.94 -45.0 91.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 20.2 110.676 179.887 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 66' ' ' VAL . . . . . . . . . . . . . 42.3 t -64.36 -40.59 89.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.087 -0.506 . . . . 14.0 110.906 179.938 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 67' ' ' LYS . . . . . 0.419 ' HG3' ' HB2' ' D' ' 63' ' ' SER . 34.7 tttt -59.73 -51.23 70.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.098 -0.501 . . . . 7.66 110.661 179.865 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' C' C ' 68' ' ' LYS . . . . . . . . . . . . . 2.0 ttmt -55.62 -38.16 69.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.266 -0.424 . . . . 16.78 110.556 179.76 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 69' ' ' MET . . . . . . . . . . . . . 46.9 ttp -63.22 -39.54 94.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.063 -0.517 . . . . 8.86 110.567 179.702 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 24.7 t -72.99 -45.73 53.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 9.13 110.661 179.794 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 71' ' ' PHE . . . . . 0.445 ' O ' ' HB2' ' C' ' 75' ' ' LYS . 22.0 t80 -51.37 -72.98 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.95 -0.389 . . . . 19.3 109.95 179.397 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -44.41 -34.57 2.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 14.99 111.063 179.409 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 73' ' ' THR . . . . . . . . . . . . . 18.0 m -68.21 -73.29 0.15 Allowed 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 116.248 -0.433 . . . . 8.52 110.133 179.613 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 74' ' ' LEU . . . . . 0.691 HD12 ' HB2' ' D' ' 62' ' ' GLN . 20.4 mt -51.24 -32.0 22.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.036 -0.529 . . . . 13.46 111.089 179.864 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' C' C ' 75' ' ' LYS . . . . . 0.445 ' HB2' ' O ' ' C' ' 71' ' ' PHE . 2.2 ttmt -54.73 -61.89 2.02 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.286 -0.416 . . . . 17.44 110.599 179.766 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' C' C ' 76' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.22 -32.77 72.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 18.98 110.783 179.757 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' C' C ' 77' ' ' LEU . . . . . 0.623 HD12 ' C ' ' C' ' 77' ' ' LEU . 0.6 OUTLIER -66.69 -65.82 0.63 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.074 -0.512 . . . . 21.16 110.465 179.875 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' C' C ' 78' ' ' TYR . . . . . 0.773 ' OH ' HG13 ' B' ' 70' ' ' VAL . 21.1 m-30 -54.42 -26.67 32.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.845 0.355 . . . . 27.96 110.607 179.589 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 3.5 mttt -66.63 -41.03 88.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.473 . . . . 25.43 110.904 -179.984 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 5.1 ttpt -68.24 -33.73 74.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.426 . . . . 30.63 110.831 -179.926 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 81' ' ' THR . . . . . 0.408 ' OG1' ' HA ' ' C' ' 78' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.142 -0.481 . . . . 33.67 110.923 179.806 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 6.4 t70 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.79 0.328 . . . . 31.71 110.988 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' D' D ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.62 -48.24 81.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 28.35 111.209 -179.944 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -63.19 -44.2 96.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.295 -0.411 . . . . 32.16 110.911 179.957 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' D' D ' 57' ' ' ARG . . . . . . . . . . . . . 66.4 mtt-85 -62.1 -37.03 83.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 24.23 110.793 179.878 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' D' D ' 58' ' ' LEU . . . . . 0.776 HD22 HG23 ' B' ' 73' ' ' THR . 36.3 mt -62.96 -53.48 53.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.055 -0.521 . . . . 21.21 110.773 179.978 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' D' D ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.15 -40.07 57.74 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.976 -0.556 . . . . 20.32 111.004 -179.953 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' D' D ' 60' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -66.15 -34.58 78.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.157 -0.474 . . . . 22.46 110.589 179.843 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' D' D ' 61' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.7 -42.58 86.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 16.16 110.552 179.667 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' D' D ' 62' ' ' GLN . . . . . 0.983 ' O ' HG23 ' D' ' 66' ' ' VAL . 2.5 mm-40 -72.05 -48.34 45.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.89 -0.595 . . . . 10.04 111.302 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' D' D ' 63' ' ' SER . . . . . 0.419 ' HB2' ' HG3' ' C' ' 67' ' ' LYS . 1.8 p -51.68 -52.11 50.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.378 -0.374 . . . . 15.17 111.569 -179.294 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' D' D ' 64' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -57.3 -58.4 8.39 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 111.841 0.312 . . . . 13.46 111.841 -179.25 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' D' D ' 65' ' ' LEU . . . . . 0.528 HD21 ' HA ' ' D' ' 62' ' ' GLN . 1.6 pp -52.32 -32.73 39.36 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.856 -0.338 . . . . 8.66 110.919 -179.586 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' D' D ' 66' ' ' VAL . . . . . 0.983 HG23 ' O ' ' D' ' 62' ' ' GLN . 93.7 t -61.15 -52.35 62.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.433 -0.348 . . . . 6.7 111.006 179.736 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' D' D ' 67' ' ' LYS . . . . . 0.427 ' O ' ' HB2' ' D' ' 71' ' ' PHE . 7.8 ttmt -52.38 -35.77 52.27 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.294 -0.412 . . . . 6.57 110.864 -179.82 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' D' D ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.53 -38.76 87.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.248 -0.433 . . . . 12.14 111.431 -179.688 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' D' D ' 69' ' ' MET . . . . . 0.685 ' HE1' HG13 ' D' ' 66' ' ' VAL . 2.5 ptt? -68.25 -39.04 82.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.878 0.37 . . . . 11.57 110.99 -179.677 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' D' D ' 70' ' ' VAL . . . . . 0.789 HG13 ' OH ' ' A' ' 78' ' ' TYR . 62.1 t -87.06 -25.04 6.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.175 -0.466 . . . . 12.42 111.661 -179.525 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' D' D ' 71' ' ' PHE . . . . . 0.427 ' HB2' ' O ' ' D' ' 67' ' ' LYS . 10.8 t80 -65.27 -36.94 85.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.836 0.35 . . . . 18.01 110.441 179.669 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -78.26 -44.32 25.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.115 -0.493 . . . . 25.35 110.525 179.575 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' D' D ' 73' ' ' THR . . . . . 0.726 HG23 HD22 ' B' ' 58' ' ' LEU . 53.0 m -57.77 -43.04 85.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.28 -0.418 . . . . 25.05 110.718 179.784 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' D' D ' 74' ' ' LEU . . . . . 0.598 HD13 ' HB2' ' C' ' 62' ' ' GLN . 51.5 mt -64.62 -43.0 95.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.107 -0.497 . . . . 25.43 110.771 -179.966 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' D' D ' 75' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -50.01 -40.7 45.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.277 -0.419 . . . . 25.86 110.694 179.865 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' D' D ' 76' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -79.99 -31.27 39.78 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.985 -0.552 . . . . 27.85 110.608 179.787 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' D' D ' 77' ' ' LEU . . . . . 0.599 HD21 HD12 ' B' ' 58' ' ' LEU . 23.8 mt -60.82 -38.24 84.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.044 -0.525 . . . . 28.56 110.824 179.922 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' D' D ' 78' ' ' TYR . . . . . 0.456 ' CB ' ' HB1' ' C' ' 55' ' ' ALA . 4.4 m-85 -84.34 -37.07 22.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 32.23 110.822 179.828 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' D' D ' 79' ' ' LYS . . . . . . . . . . . . . 2.4 mmmt . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.073 -0.512 . . . . 44.11 111.142 179.998 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.123 0 CA-C-O 120.803 0.335 . . . . 34.94 110.519 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 50.0 tt0 -66.3 -50.33 64.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.102 -0.499 . . . . 30.15 110.338 179.504 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.442 ' NH1' ' HB3' ' A' ' 57' ' ' ARG . 3.4 mtm105 -61.5 -47.3 86.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.891 -0.595 . . . . 37.19 110.089 179.265 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.8 mt -51.79 -51.59 55.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.688 -0.687 . . . . 26.33 110.697 179.586 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -50.16 -39.03 42.25 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.053 -0.521 . . . . 20.37 110.892 179.783 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -69.64 -27.25 64.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.963 -0.562 . . . . 19.92 110.543 179.657 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -77.42 -50.51 12.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.07 -0.513 . . . . 22.14 110.605 179.831 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.704 ' HA ' HD12 ' A' ' 65' ' ' LEU . 1.0 OUTLIER -60.4 -43.03 97.09 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.965 -0.561 . . . . 25.03 110.537 179.714 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 66.8 p -60.86 -37.4 81.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.117 -0.492 . . . . 17.85 110.653 179.627 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -58.18 -42.65 86.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 25.23 110.613 179.749 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.704 HD12 ' HA ' ' A' ' 62' ' ' GLN . 6.9 mt -59.91 -39.68 86.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 17.98 110.541 179.756 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 20.0 t -66.28 -43.83 91.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.086 -0.506 . . . . 14.99 110.932 179.657 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.404 ' HG3' ' HB2' ' B' ' 63' ' ' SER . 43.9 tttt -58.12 -44.64 87.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.962 -0.563 . . . . 10.73 110.66 179.931 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 4.1 mtpt -59.69 -38.46 81.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.944 0.402 . . . . 12.28 110.714 179.822 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 47.4 ttp -66.83 -44.61 80.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.094 -0.503 . . . . 7.83 110.698 179.747 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 71.1 t -71.44 -41.24 73.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.052 -0.522 . . . . 9.29 110.937 179.983 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.489 ' CZ ' ' HD3' ' A' ' 75' ' ' LYS . 39.8 t80 -56.35 -58.29 8.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.792 0.33 . . . . 12.2 110.234 179.817 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -54.02 -44.4 70.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 11.39 110.462 179.677 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 19.9 m -64.01 -69.74 0.26 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.227 -0.442 . . . . 12.06 110.346 179.572 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.76 HD12 ' HB2' ' B' ' 62' ' ' GLN . 10.7 mt -50.69 -38.15 45.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.103 -0.499 . . . . 13.85 111.111 -179.952 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.489 ' HD3' ' CZ ' ' A' ' 71' ' ' PHE . 6.8 ttpp -53.04 -69.51 0.11 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.064 0.459 . . . . 13.81 110.385 179.63 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -63.57 -28.58 70.03 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.637 -0.71 . . . . 17.34 111.135 179.965 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.564 ' O ' HD12 ' A' ' 77' ' ' LEU . 1.9 tp -65.48 -56.22 13.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.488 -0.324 . . . . 21.45 110.91 -179.905 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.662 ' OH ' HG13 ' D' ' 70' ' ' VAL . 23.2 m-30 -63.18 -23.85 67.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.325 -0.398 . . . . 24.79 110.899 179.908 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.37 -29.43 62.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.349 -0.387 . . . . 26.73 110.851 179.944 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 4.1 mttt -78.69 -25.75 44.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 27.66 111.089 -179.802 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.326 -0.397 . . . . 33.35 111.013 -179.994 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 14.1 p-10 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.891 0.377 . . . . 33.93 110.776 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -54.0 -45.78 71.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.948 -0.569 . . . . 30.53 110.954 179.879 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.01 -51.0 52.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.026 -0.534 . . . . 30.07 110.579 179.782 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 51.1 mtp180 -54.94 -34.48 63.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 27.68 110.552 179.738 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . 0.985 HD22 HG23 ' D' ' 73' ' ' THR . 6.4 mt -66.47 -60.72 2.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.074 -0.512 . . . . 22.66 110.586 179.753 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -47.28 -33.34 5.51 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.965 -0.561 . . . . 19.54 110.873 179.792 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -64.44 -42.14 96.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.088 -0.505 . . . . 18.9 110.35 179.483 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -67.55 -37.23 82.39 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.985 -0.552 . . . . 11.43 110.359 179.509 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . 0.76 ' HB2' HD12 ' A' ' 74' ' ' LEU . 5.6 mm-40 -67.67 -43.07 81.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.915 -0.584 . . . . 11.16 110.382 179.505 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 63' ' ' SER . . . . . 0.404 ' HB2' ' HG3' ' A' ' 67' ' ' LYS . 0.1 OUTLIER -55.58 -64.09 0.96 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.949 -0.569 . . . . 16.71 110.884 179.972 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -49.44 -30.24 7.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.102 -0.499 . . . . 18.3 110.979 -179.898 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.11 -38.99 72.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 10.2 110.842 179.897 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . 0.746 HG23 ' O ' ' B' ' 62' ' ' GLN . 2.2 t -68.68 -39.33 80.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.139 -0.482 . . . . 8.24 110.988 -179.882 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 67' ' ' LYS . . . . . 0.417 ' O ' ' N ' ' B' ' 71' ' ' PHE . 13.9 ttpt -57.24 -58.81 6.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.049 -0.523 . . . . 14.38 110.981 -179.898 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -52.37 -33.34 42.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.36 -0.382 . . . . 10.07 110.731 179.962 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 69' ' ' MET . . . . . 0.468 ' HE2' HG13 ' B' ' 66' ' ' VAL . 54.7 ttp -67.8 -54.16 21.35 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.251 -0.431 . . . . 10.96 110.935 179.953 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.741 HG13 ' OH ' ' C' ' 78' ' ' TYR . 35.6 t -75.37 -20.56 16.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.276 -0.42 . . . . 10.93 111.39 -179.859 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.417 ' N ' ' O ' ' B' ' 67' ' ' LYS . 17.6 t80 -61.99 -45.95 91.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.921 0.391 . . . . 18.17 110.478 179.76 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -69.49 -45.5 68.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.028 -0.533 . . . . 24.32 110.618 179.709 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 73' ' ' THR . . . . . 0.961 HG23 HD22 ' D' ' 58' ' ' LEU . 52.5 m -54.57 -48.95 71.47 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.197 -0.456 . . . . 22.98 110.792 179.848 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 74' ' ' LEU . . . . . 0.455 ' HA ' HD12 ' B' ' 77' ' ' LEU . 61.7 mt -59.48 -42.13 91.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.44 . . . . 27.02 110.86 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 3.1 tttp -50.18 -44.49 52.88 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.163 -0.471 . . . . 30.77 110.818 179.946 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 76' ' ' ASP . . . . . 0.404 ' HA ' ' CG ' ' B' ' 79' ' ' LYS . 0.2 OUTLIER -76.45 -26.31 55.29 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.963 -0.562 . . . . 28.41 110.749 179.869 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.504 HD11 ' CG ' ' C' ' 78' ' ' TYR . 19.6 mt -67.42 -34.92 78.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 27.86 110.837 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -77.39 -58.71 3.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 33.92 110.867 -179.972 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 79' ' ' LYS . . . . . 0.404 ' CG ' ' HA ' ' B' ' 76' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.33 -0.396 . . . . 41.66 110.741 179.924 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.145 0 CA-C-O 120.925 0.393 . . . . 30.56 110.533 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 49.9 tt0 -66.34 -50.32 63.97 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.104 -0.498 . . . . 26.96 110.347 179.454 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' C' C ' 57' ' ' ARG . . . . . 0.437 ' HB3' ' NH1' ' C' ' 57' ' ' ARG . 3.5 mtm105 -61.56 -47.11 86.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.985 -0.552 . . . . 27.71 110.101 179.266 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 6.8 mt -51.84 -51.74 54.43 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.721 -0.672 . . . . 29.4 110.585 179.565 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -50.11 -38.94 41.27 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.115 -0.493 . . . . 24.56 110.833 179.892 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -69.77 -27.37 64.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.99 -0.55 . . . . 27.21 110.477 179.702 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -77.19 -50.59 12.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.029 -0.532 . . . . 27.01 110.642 179.764 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' C' C ' 62' ' ' GLN . . . . . 0.689 ' HA ' HD12 ' C' ' 65' ' ' LEU . 1.0 OUTLIER -60.25 -43.19 96.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.923 -0.58 . . . . 19.09 110.62 179.671 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' C' C ' 63' ' ' SER . . . . . . . . . . . . . 64.3 p -60.77 -37.38 81.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.027 -0.533 . . . . 16.14 110.536 179.705 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -58.19 -42.83 86.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 15.79 110.602 179.761 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' C' C ' 65' ' ' LEU . . . . . 0.689 HD12 ' HA ' ' C' ' 62' ' ' GLN . 7.0 mt -59.78 -39.76 86.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 17.74 110.503 179.72 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' C' C ' 66' ' ' VAL . . . . . . . . . . . . . 19.5 t -66.27 -43.71 91.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 9.93 110.793 179.611 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' C' C ' 67' ' ' LYS . . . . . 0.444 ' HG3' ' CB ' ' D' ' 63' ' ' SER . 42.2 tttt -57.71 -45.23 86.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.078 -0.51 . . . . 16.97 110.681 179.925 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' C' C ' 68' ' ' LYS . . . . . . . . . . . . . 4.1 mtpt -59.7 -38.26 81.11 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.221 -0.445 . . . . 22.42 110.682 -179.959 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' C' C ' 69' ' ' MET . . . . . . . . . . . . . 47.6 ttp -66.97 -44.53 80.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.476 . . . . 8.85 110.719 179.763 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 68.1 t -71.38 -41.02 73.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.069 -0.514 . . . . 6.41 111.121 179.919 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' C' C ' 71' ' ' PHE . . . . . 0.488 ' CZ ' ' HD3' ' C' ' 75' ' ' LYS . 40.1 t80 -56.72 -58.35 8.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.755 0.312 . . . . 17.41 110.24 179.686 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -53.86 -44.34 70.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 11.5 110.525 179.648 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' C' C ' 73' ' ' THR . . . . . . . . . . . . . 19.9 m -64.23 -69.67 0.27 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.136 -0.484 . . . . 11.54 110.312 179.605 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' C' C ' 74' ' ' LEU . . . . . 0.73 HD12 ' HB2' ' D' ' 62' ' ' GLN . 10.8 mt -50.59 -38.4 45.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 18.47 111.068 -179.956 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' C' C ' 75' ' ' LYS . . . . . 0.488 ' HD3' ' CZ ' ' C' ' 71' ' ' PHE . 6.9 ttpp -52.83 -69.7 0.11 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.104 0.478 . . . . 20.05 110.383 179.603 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' C' C ' 76' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -63.51 -28.52 70.01 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.685 -0.689 . . . . 16.32 111.171 -179.988 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' C' C ' 77' ' ' LEU . . . . . 0.551 ' O ' HD12 ' C' ' 77' ' ' LEU . 2.0 tp -65.66 -56.31 12.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.418 -0.356 . . . . 19.41 110.788 -179.822 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' C' C ' 78' ' ' TYR . . . . . 0.741 ' OH ' HG13 ' B' ' 70' ' ' VAL . 23.0 m-30 -63.07 -23.81 67.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.366 -0.379 . . . . 26.3 110.974 179.853 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.33 -29.61 62.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.315 -0.402 . . . . 27.29 110.781 179.922 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 4.3 mttt -78.44 -25.69 46.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.346 -0.388 . . . . 30.47 111.16 -179.817 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' C' C ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.271 -0.422 . . . . 34.34 110.936 -179.85 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 14.0 p-10 . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.954 0.406 . . . . 33.5 110.753 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' D' D ' 55' ' ' ALA . . . . . . . . . . . . . . . -54.15 -45.65 72.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.065 -0.516 . . . . 32.46 110.892 179.841 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.94 -50.9 53.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.088 -0.505 . . . . 30.09 110.681 179.738 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' D' D ' 57' ' ' ARG . . . . . . . . . . . . . 50.9 mtp180 -55.16 -34.44 63.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.063 -0.517 . . . . 23.27 110.564 179.756 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' D' D ' 58' ' ' LEU . . . . . 0.961 HD22 HG23 ' B' ' 73' ' ' THR . 6.3 mt -66.45 -60.54 2.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.971 -0.559 . . . . 18.61 110.645 179.693 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' D' D ' 59' ' ' ALA . . . . . . . . . . . . . . . -47.45 -33.37 6.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.878 -0.601 . . . . 18.56 110.938 179.829 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' D' D ' 60' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -64.4 -41.87 96.42 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.121 -0.491 . . . . 24.69 110.311 179.454 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' D' D ' 61' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -67.8 -37.31 81.84 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.06 -0.518 . . . . 17.19 110.377 179.44 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' D' D ' 62' ' ' GLN . . . . . 0.767 ' O ' HG23 ' D' ' 66' ' ' VAL . 5.6 mm-40 -67.66 -42.58 81.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.958 -0.564 . . . . 15.18 110.372 179.496 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' D' D ' 63' ' ' SER . . . . . 0.444 ' CB ' ' HG3' ' C' ' 67' ' ' LYS . 0.1 OUTLIER -56.09 -64.4 0.87 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.878 -0.601 . . . . 12.63 110.956 179.84 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' D' D ' 64' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -49.09 -30.34 6.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 7.56 110.964 -179.997 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' D' D ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.01 -39.42 72.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.488 . . . . 5.49 110.811 179.863 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' D' D ' 66' ' ' VAL . . . . . 0.767 HG23 ' O ' ' D' ' 62' ' ' GLN . 2.2 t -68.43 -38.79 79.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.249 -0.432 . . . . 6.09 111.104 -179.943 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' D' D ' 67' ' ' LYS . . . . . 0.4 ' O ' ' N ' ' D' ' 71' ' ' PHE . 14.0 ttpt -57.75 -58.81 6.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.175 -0.466 . . . . 15.97 110.922 -179.86 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' D' D ' 68' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -52.15 -33.47 40.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.45 -0.341 . . . . 18.8 110.743 179.95 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' D' D ' 69' ' ' MET . . . . . 0.497 ' HE2' HG13 ' D' ' 66' ' ' VAL . 54.8 ttp -67.69 -54.35 20.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 13.1 110.991 179.959 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' D' D ' 70' ' ' VAL . . . . . 0.662 HG13 ' OH ' ' A' ' 78' ' ' TYR . 37.3 t -75.03 -20.79 16.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 15.5 111.401 -179.922 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' D' D ' 71' ' ' PHE . . . . . 0.4 ' N ' ' O ' ' D' ' 67' ' ' LYS . 17.5 t80 -61.85 -46.0 91.34 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.918 0.389 . . . . 25.02 110.512 179.753 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -69.4 -45.56 68.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.056 -0.52 . . . . 29.03 110.558 179.735 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' D' D ' 73' ' ' THR . . . . . 0.985 HG23 HD22 ' B' ' 58' ' ' LEU . 53.3 m -54.58 -49.1 71.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 22.1 110.778 179.875 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' D' D ' 74' ' ' LEU . . . . . 0.457 ' HA ' HD12 ' D' ' 77' ' ' LEU . 60.8 mt -59.42 -41.99 90.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 20.99 110.857 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' D' D ' 75' ' ' LYS . . . . . . . . . . . . . 3.0 tttp -50.32 -44.37 54.18 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.23 -0.441 . . . . 26.69 110.807 179.894 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' D' D ' 76' ' ' ASP . . . . . 0.405 ' HA ' ' CG ' ' D' ' 79' ' ' LYS . 0.2 OUTLIER -76.53 -26.27 55.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.057 -0.519 . . . . 30.95 110.684 179.879 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' D' D ' 77' ' ' LEU . . . . . 0.457 HD12 ' HA ' ' D' ' 74' ' ' LEU . 19.6 mt -67.43 -34.78 77.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.064 -0.517 . . . . 30.09 110.93 179.978 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' D' D ' 78' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -77.68 -58.17 3.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 31.95 111.012 -179.996 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' D' D ' 79' ' ' LYS . . . . . 0.405 ' CG ' ' HA ' ' D' ' 76' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.326 -0.397 . . . . 40.78 110.726 179.927 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.132 0 CA-C-O 120.897 0.38 . . . . 34.41 110.583 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.28 -55.98 25.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.077 -0.51 . . . . 29.68 110.38 179.431 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 54.7 ttp180 -64.62 -49.07 72.51 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.866 -0.607 . . . . 36.68 110.257 179.451 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.631 ' C ' HD13 ' A' ' 58' ' ' LEU . 1.3 tm? -54.78 -51.24 66.36 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.815 -0.629 . . . . 31.28 110.298 179.435 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.522 ' N ' HD13 ' A' ' 58' ' ' LEU . . . -58.25 -44.03 88.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.989 -0.55 . . . . 24.31 110.862 179.541 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -52.18 -37.35 54.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.048 -0.524 . . . . 22.74 110.763 179.897 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -72.37 -41.5 66.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 22.51 110.847 179.929 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.573 ' O ' HG23 ' A' ' 66' ' ' VAL . 69.9 mm-40 -63.21 -39.83 95.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.116 -0.493 . . . . 19.81 110.619 179.756 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 14.9 p -71.08 -33.0 69.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.087 -0.506 . . . . 18.32 110.628 179.772 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -69.65 -34.14 73.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 23.78 110.699 179.811 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.2 mt -70.3 -40.53 74.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.055 -0.52 . . . . 19.82 110.768 179.884 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.573 HG23 ' O ' ' A' ' 62' ' ' GLN . 45.4 t -69.2 -40.58 80.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.135 -0.484 . . . . 12.99 110.874 179.745 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 24.1 tttt -64.19 -43.71 94.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.996 -0.547 . . . . 8.93 110.719 179.844 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 21.3 mtpt -60.82 -38.35 85.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 19.09 110.558 179.682 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 20.7 ttp -65.59 -43.44 89.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.086 -0.506 . . . . 9.68 110.686 179.815 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 78.6 t -71.28 -42.71 74.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.109 -0.496 . . . . 8.91 110.969 179.942 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.436 ' CZ ' ' HD3' ' A' ' 75' ' ' LYS . 10.7 t80 -51.86 -60.48 3.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.819 0.342 . . . . 20.25 110.505 179.738 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -53.35 -47.73 69.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 13.86 110.665 179.795 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.2 m -60.19 -69.86 0.2 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.362 -0.381 . . . . 8.37 110.301 179.65 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.509 HD12 ' HB2' ' B' ' 62' ' ' GLN . 15.2 mt -51.06 -37.2 44.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.082 -0.508 . . . . 14.98 111.112 -179.945 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.436 ' HD3' ' CZ ' ' A' ' 71' ' ' PHE . 14.7 ttpt -55.67 -67.41 0.29 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.127 0.489 . . . . 18.96 110.135 179.467 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.13 -30.34 71.51 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.561 -0.745 . . . . 19.15 110.848 179.695 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.602 ' O ' HD12 ' A' ' 77' ' ' LEU . 1.2 tp -65.25 -56.04 14.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.374 -0.375 . . . . 21.03 110.539 179.947 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 22.5 m-30 -62.17 -26.37 68.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.913 0.387 . . . . 28.17 110.417 179.454 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.15 -30.08 68.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.009 -0.541 . . . . 26.41 110.708 179.821 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.7 tttt -59.96 -37.97 81.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 31.68 110.732 179.915 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 32.3 p . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 115.975 -0.557 . . . . 34.49 110.88 179.923 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.813 0.339 . . . . 30.86 110.921 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -51.09 -40.26 57.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.299 -0.41 . . . . 28.4 110.872 179.839 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -72.69 -49.72 29.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.014 -0.539 . . . . 30.67 110.578 179.712 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 31.5 mtt85 -56.15 -36.36 68.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.117 -0.492 . . . . 22.82 110.531 179.803 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . 0.782 HD22 HG23 ' D' ' 73' ' ' THR . 51.7 mt -66.68 -62.44 1.45 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.028 -0.533 . . . . 19.68 110.626 179.682 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -47.92 -29.36 3.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.78 -0.645 . . . . 19.47 111.054 179.896 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 62.8 t0 -79.24 -33.05 43.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 23.02 110.571 179.781 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 61' ' ' GLU . . . . . 0.402 ' O ' ' HG2' ' B' ' 64' ' ' GLU . 0.2 OUTLIER -70.02 -41.0 74.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 17.39 110.212 179.448 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . 0.509 ' HB2' HD12 ' A' ' 74' ' ' LEU . 2.0 mm-40 -73.67 -47.64 38.27 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.819 -0.628 . . . . 10.31 110.485 179.736 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 48.9 p -52.11 -55.65 19.51 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.316 -0.402 . . . . 14.24 110.549 179.91 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . 0.437 ' HG3' ' N ' ' B' ' 65' ' ' LEU . 10.3 pt-20 -52.71 -36.81 58.02 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 116.226 -0.443 . . . . 10.28 110.201 179.383 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . 0.437 ' N ' ' HG3' ' B' ' 64' ' ' GLU . 0.2 OUTLIER -62.74 -37.8 88.02 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.826 -0.624 . . . . 7.77 110.489 179.412 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . 0.643 HG13 ' CE ' ' B' ' 69' ' ' MET . 23.3 t -68.52 -36.75 76.05 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.145 -0.479 . . . . 6.53 111.446 -179.958 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 67' ' ' LYS . . . . . 0.432 ' O ' ' CB ' ' B' ' 71' ' ' PHE . 3.4 tttm -68.97 -33.91 74.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.329 -0.396 . . . . 6.25 110.905 -179.796 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 9.9 mttp -75.4 -38.68 59.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.256 -0.429 . . . . 14.97 110.857 179.981 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 69' ' ' MET . . . . . 0.643 ' CE ' HG13 ' B' ' 66' ' ' VAL . 18.5 ptt? -76.2 -33.88 59.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.301 -0.409 . . . . 12.07 110.901 179.889 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.619 HG23 ' O ' ' B' ' 66' ' ' VAL . 68.7 t -84.48 -25.69 7.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 13.36 111.317 -179.798 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.432 ' CB ' ' O ' ' B' ' 67' ' ' LYS . 21.2 t80 -71.67 -34.58 69.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.888 0.375 . . . . 20.04 110.296 179.536 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.35 -46.66 47.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.987 -0.551 . . . . 26.31 110.555 179.621 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 73' ' ' THR . . . . . 0.736 HG23 HD22 ' D' ' 58' ' ' LEU . 95.1 m -52.65 -52.21 56.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 25.05 110.6 179.772 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 74' ' ' LEU . . . . . 0.63 HD23 HD12 ' B' ' 77' ' ' LEU . 48.7 mt -56.73 -42.52 79.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 24.0 110.645 179.728 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 3.4 tptp -52.64 -44.03 65.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.234 -0.439 . . . . 25.09 110.35 179.549 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -74.37 -29.47 61.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.825 -0.625 . . . . 28.39 110.407 179.454 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.63 HD12 HD23 ' B' ' 74' ' ' LEU . 27.5 mt -63.64 -52.0 62.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.883 -0.599 . . . . 29.77 110.651 179.845 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -73.34 -37.37 66.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 31.87 110.605 179.761 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 27.3 ttpp . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 115.964 -0.562 . . . . 42.85 110.886 179.958 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.846 0.355 . . . . 31.7 110.524 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.3 -55.88 26.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.025 -0.534 . . . . 27.86 110.375 179.546 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' C' C ' 57' ' ' ARG . . . . . . . . . . . . . 54.7 ttp180 -64.69 -49.14 72.08 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.904 -0.589 . . . . 31.96 110.231 179.477 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' C' C ' 58' ' ' LEU . . . . . 0.621 HD13 ' C ' ' C' ' 58' ' ' LEU . 1.3 tm? -54.71 -51.33 65.93 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.767 -0.651 . . . . 24.95 110.251 179.39 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' C' C ' 59' ' ' ALA . . . . . 0.513 ' N ' HD13 ' C' ' 58' ' ' LEU . . . -58.25 -43.89 88.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.106 -0.497 . . . . 22.72 110.861 179.584 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -52.38 -37.08 55.5 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.024 -0.534 . . . . 25.2 110.796 179.871 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -72.53 -41.65 65.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.274 -0.421 . . . . 26.77 110.772 179.869 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' C' C ' 62' ' ' GLN . . . . . 0.56 ' O ' HG23 ' C' ' 66' ' ' VAL . 70.5 mm-40 -62.99 -39.83 95.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.093 -0.503 . . . . 23.29 110.682 179.727 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' C' C ' 63' ' ' SER . . . . . . . . . . . . . 14.8 p -71.0 -33.05 70.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.062 -0.517 . . . . 16.21 110.658 179.787 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -69.73 -34.02 73.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.083 -0.508 . . . . 22.22 110.713 179.836 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' C' C ' 65' ' ' LEU . . . . . . . . . . . . . 1.2 mt -70.25 -40.75 74.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 14.39 110.69 179.814 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' C' C ' 66' ' ' VAL . . . . . 0.56 HG23 ' O ' ' C' ' 62' ' ' GLN . 45.7 t -68.96 -40.92 81.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 12.18 110.873 179.771 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' C' C ' 67' ' ' LYS . . . . . . . . . . . . . 24.1 tttt -63.99 -43.71 94.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.994 -0.548 . . . . 19.01 110.713 179.907 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' C' C ' 68' ' ' LYS . . . . . . . . . . . . . 21.1 mtpt -60.87 -38.25 84.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 16.56 110.581 179.737 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' C' C ' 69' ' ' MET . . . . . . . . . . . . . 20.8 ttp -65.73 -43.29 89.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.05 -0.523 . . . . 6.82 110.704 179.764 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 77.8 t -71.33 -42.9 74.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 6.5 110.872 179.863 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' C' C ' 71' ' ' PHE . . . . . 0.438 ' CZ ' ' HD3' ' C' ' 75' ' ' LYS . 10.6 t80 -51.55 -60.65 2.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.784 0.325 . . . . 8.55 110.475 179.671 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -53.34 -47.35 69.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 10.09 110.671 179.918 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' C' C ' 73' ' ' THR . . . . . . . . . . . . . 18.1 m -60.7 -69.76 0.21 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.318 -0.401 . . . . 14.78 110.277 179.742 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' C' C ' 74' ' ' LEU . . . . . 0.514 HD12 ' HB2' ' D' ' 62' ' ' GLN . 15.5 mt -51.14 -36.98 43.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.059 -0.519 . . . . 17.4 111.134 -179.965 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' C' C ' 75' ' ' LYS . . . . . 0.438 ' HD3' ' CZ ' ' C' ' 71' ' ' PHE . 14.8 ttpt -55.91 -67.43 0.29 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.128 0.49 . . . . 17.46 110.073 179.442 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' C' C ' 76' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.03 -30.45 71.61 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.541 -0.754 . . . . 14.76 110.903 179.676 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' C' C ' 77' ' ' LEU . . . . . 0.608 ' O ' HD12 ' C' ' 77' ' ' LEU . 1.3 tp -65.16 -55.97 15.58 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.407 -0.36 . . . . 20.29 110.564 179.968 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' C' C ' 78' ' ' TYR . . . . . . . . . . . . . 22.4 m-30 -62.29 -26.35 68.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.291 -0.413 . . . . 23.93 110.369 179.501 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.13 -29.9 68.05 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.026 -0.534 . . . . 27.93 110.743 179.893 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 3.7 tttt -60.11 -37.87 81.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.477 . . . . 27.41 110.707 179.878 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' C' C ' 81' ' ' THR . . . . . 0.414 HG21 HD13 ' B' ' 77' ' ' LEU . 31.5 p . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.027 -0.533 . . . . 32.99 110.893 179.952 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.817 0.341 . . . . 34.01 110.975 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' D' D ' 55' ' ' ALA . . . . . . . . . . . . . . . -51.01 -40.61 58.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.303 -0.408 . . . . 33.04 110.772 179.874 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -72.46 -49.81 30.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.103 -0.499 . . . . 29.31 110.581 179.769 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' D' D ' 57' ' ' ARG . . . . . . . . . . . . . 31.3 mtt85 -56.01 -36.56 68.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.468 . . . . 32.14 110.548 179.698 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' D' D ' 58' ' ' LEU . . . . . 0.736 HD22 HG23 ' B' ' 73' ' ' THR . 50.7 mt -66.65 -62.1 1.63 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 20.11 110.651 179.764 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' D' D ' 59' ' ' ALA . . . . . . . . . . . . . . . -48.15 -29.26 3.52 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.845 -0.616 . . . . 16.92 111.059 179.891 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' D' D ' 60' ' ' ASP . . . . . . . . . . . . . 62.5 t0 -79.39 -33.01 43.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.084 -0.507 . . . . 18.26 110.526 179.777 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' D' D ' 61' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.81 -41.17 75.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.104 -0.498 . . . . 12.8 110.27 179.351 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' D' D ' 62' ' ' GLN . . . . . 0.514 ' HB2' HD12 ' C' ' 74' ' ' LEU . 2.1 mm-40 -73.46 -47.54 40.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.734 -0.666 . . . . 12.74 110.603 179.671 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' D' D ' 63' ' ' SER . . . . . . . . . . . . . 50.5 p -52.31 -55.69 19.74 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.274 -0.421 . . . . 14.77 110.529 -179.992 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' D' D ' 64' ' ' GLU . . . . . 0.432 ' HG3' ' N ' ' D' ' 65' ' ' LEU . 10.2 pt-20 -52.69 -36.68 57.62 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 116.141 -0.481 . . . . 15.08 110.124 179.473 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' D' D ' 65' ' ' LEU . . . . . 0.432 ' N ' ' HG3' ' D' ' 64' ' ' GLU . 0.2 OUTLIER -62.77 -37.88 88.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.869 -0.605 . . . . 7.26 110.43 179.399 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' D' D ' 66' ' ' VAL . . . . . 0.651 HG13 ' CE ' ' D' ' 69' ' ' MET . 22.3 t -68.54 -36.72 75.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.122 -0.49 . . . . 8.51 111.448 -179.971 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' D' D ' 67' ' ' LYS . . . . . 0.423 ' O ' ' CB ' ' D' ' 71' ' ' PHE . 3.5 tttm -68.95 -33.9 74.47 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.357 -0.383 . . . . 20.21 110.919 -179.796 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' D' D ' 68' ' ' LYS . . . . . . . . . . . . . 10.0 mttp -75.27 -38.54 60.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.319 -0.4 . . . . 12.13 110.944 179.958 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' D' D ' 69' ' ' MET . . . . . 0.651 ' CE ' HG13 ' D' ' 66' ' ' VAL . 18.6 ptt? -76.44 -33.63 58.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.32 -0.4 . . . . 11.82 110.823 179.915 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' D' D ' 70' ' ' VAL . . . . . 0.615 HG23 ' O ' ' D' ' 66' ' ' VAL . 67.8 t -84.65 -25.83 7.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.188 -0.46 . . . . 13.87 111.244 -179.824 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' D' D ' 71' ' ' PHE . . . . . 0.423 ' CB ' ' O ' ' D' ' 67' ' ' LYS . 21.1 t80 -71.32 -34.69 70.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.988 0.423 . . . . 21.22 110.413 179.437 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.31 -47.02 46.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.961 -0.563 . . . . 26.36 110.544 179.642 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' D' D ' 73' ' ' THR . . . . . 0.782 HG23 HD22 ' B' ' 58' ' ' LEU . 96.2 m -52.36 -52.3 54.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 20.32 110.574 179.735 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' D' D ' 74' ' ' LEU . . . . . 0.624 HD23 HD12 ' D' ' 77' ' ' LEU . 48.8 mt -56.53 -42.75 78.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 24.88 110.661 179.74 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' D' D ' 75' ' ' LYS . . . . . . . . . . . . . 3.3 tptp -52.4 -44.24 65.23 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.091 0.472 . . . . 31.13 110.319 179.572 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' D' D ' 76' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -74.34 -29.33 61.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.814 -0.63 . . . . 31.38 110.487 179.544 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' D' D ' 77' ' ' LEU . . . . . 0.624 HD12 HD23 ' D' ' 74' ' ' LEU . 27.4 mt -63.6 -52.09 62.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.89 -0.596 . . . . 30.5 110.64 179.787 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' D' D ' 78' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -73.5 -37.04 65.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.034 -0.53 . . . . 35.3 110.635 179.79 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' D' D ' 79' ' ' LYS . . . . . . . . . . . . . 27.4 ttpp . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 115.945 -0.571 . . . . 39.42 110.902 -179.999 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.237 0 CA-C-O 120.897 0.379 . . . . 35.68 110.65 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -63.23 -44.03 96.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.043 -0.526 . . . . 30.76 110.317 179.486 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 41.9 ttm-85 -67.72 -42.77 81.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.834 -0.621 . . . . 37.45 110.348 179.493 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.574 HD13 ' OH ' ' B' ' 78' ' ' TYR . 12.0 mt -57.91 -48.52 79.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.805 -0.634 . . . . 27.61 110.648 179.655 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.92 -41.57 62.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.094 -0.503 . . . . 20.66 110.78 179.883 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -72.56 -31.54 65.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.122 -0.49 . . . . 19.29 110.589 179.85 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.96 -51.68 30.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 21.57 110.76 179.771 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.699 ' HA ' HD12 ' A' ' 65' ' ' LEU . 47.7 mm-40 -58.2 -44.64 88.22 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.989 -0.55 . . . . 24.39 110.664 179.778 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.3 p -62.76 -35.42 79.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.488 . . . . 18.32 110.761 179.849 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -57.64 -41.94 82.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.079 -0.509 . . . . 26.79 110.723 179.955 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.699 HD12 ' HA ' ' A' ' 62' ' ' GLN . 2.1 mt -64.41 -39.17 93.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.264 -0.426 . . . . 18.8 110.615 179.797 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 49.1 t -69.5 -45.91 77.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 15.12 111.012 179.82 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 17.0 tttm -59.24 -57.68 11.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.29 -0.414 . . . . 9.56 110.355 179.708 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.71 -31.43 64.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.475 . . . . 13.59 110.213 179.503 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 13.6 tmm? -69.49 -42.7 74.42 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.952 -0.567 . . . . 8.61 110.467 179.523 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.407 HG13 ' HG ' ' A' ' 74' ' ' LEU . 44.1 t -69.52 -33.13 55.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.032 -0.531 . . . . 9.23 110.575 179.678 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.431 ' O ' ' CB ' ' A' ' 75' ' ' LYS . 10.8 t80 -55.08 -58.39 7.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.338 -0.392 . . . . 14.77 110.344 179.641 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -52.44 -50.92 61.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 13.3 110.722 179.834 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.8 m -57.17 -71.17 0.1 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.363 -0.38 . . . . 10.79 110.287 179.702 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.705 HD12 ' HB2' ' B' ' 62' ' ' GLN . 12.9 mt -49.75 -37.36 29.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 13.03 111.013 -179.925 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.431 ' CB ' ' O ' ' A' ' 71' ' ' PHE . 2.9 ttpt -54.9 -68.75 0.16 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.142 -0.481 . . . . 13.99 110.367 179.406 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.37 -25.04 67.7 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.541 -0.754 . . . . 17.42 111.016 179.813 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.624 ' C ' HD12 ' A' ' 77' ' ' LEU . 0.7 OUTLIER -71.72 -65.56 0.75 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.311 -0.404 . . . . 21.22 110.765 -179.917 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.527 ' CD1' HD11 ' D' ' 77' ' ' LEU . 18.9 m-85 -52.5 -32.45 40.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.814 0.34 . . . . 25.78 110.575 179.714 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 14.8 ttmt -58.77 -35.12 72.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 23.86 110.577 179.74 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 7.9 ttpt -70.06 -29.06 65.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 28.59 110.731 179.777 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 34.09 110.97 179.973 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.771 0.32 . . . . 34.01 110.909 . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.08 -44.47 95.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.431 . . . . 30.47 110.942 179.881 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.34 -48.99 71.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.074 -0.512 . . . . 34.53 110.7 179.806 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 78.9 mtt180 -57.3 -34.24 68.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.106 -0.497 . . . . 28.91 110.761 179.91 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . 0.835 HD22 HG23 ' D' ' 73' ' ' THR . 17.2 mt -67.58 -59.4 3.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.079 -0.509 . . . . 22.99 110.994 -179.91 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -46.36 -34.75 4.83 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.941 -0.572 . . . . 20.24 111.11 179.967 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -62.33 -48.67 78.82 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.0 -0.545 . . . . 18.4 110.535 179.746 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 91.9 mt-10 -61.8 -33.38 74.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.1 -0.5 . . . . 12.27 110.556 179.739 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . 0.721 ' O ' HG23 ' B' ' 66' ' ' VAL . 6.1 mm-40 -71.95 -49.54 36.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.112 -0.494 . . . . 11.29 110.549 179.707 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 1.3 m -52.05 -60.26 3.4 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.125 -0.489 . . . . 17.06 110.763 -179.969 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 26.4 pt-20 -51.08 -35.32 34.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 18.75 110.793 179.888 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.33 -41.16 81.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 10.25 110.697 179.776 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . 0.721 HG23 ' O ' ' B' ' 62' ' ' GLN . 17.6 t -64.55 -35.7 75.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.268 -0.424 . . . . 8.41 111.107 179.923 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 67' ' ' LYS . . . . . 0.403 ' O ' ' N ' ' B' ' 71' ' ' PHE . 11.8 tttt -63.05 -53.11 58.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 13.58 110.922 -179.901 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.11 -30.68 64.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.896 0.379 . . . . 8.61 110.601 179.928 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 69' ' ' MET . . . . . . . . . . . . . 49.9 ttp -71.82 -53.99 11.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.04 -0.527 . . . . 10.84 110.805 179.86 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.605 HG13 ' OH ' ' C' ' 78' ' ' TYR . 61.0 t -74.55 -20.65 17.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 10.42 111.253 -179.974 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.403 ' N ' ' O ' ' B' ' 67' ' ' LYS . 21.9 t80 -65.21 -49.38 69.93 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.44 -0.345 . . . . 17.7 110.623 179.777 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -65.05 -41.2 95.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 23.74 110.65 179.737 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 73' ' ' THR . . . . . 0.848 HG23 HD22 ' D' ' 58' ' ' LEU . 96.0 m -58.19 -58.45 8.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 23.92 110.847 179.883 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 74' ' ' LEU . . . . . 0.572 ' HA ' HD12 ' B' ' 77' ' ' LEU . 30.0 mt -51.63 -42.08 61.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 26.92 110.934 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -50.46 -48.48 56.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.983 0.42 . . . . 27.95 110.786 179.864 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.57 -32.11 67.71 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.927 -0.578 . . . . 28.21 110.616 179.695 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.572 HD12 ' HA ' ' B' ' 74' ' ' LEU . 20.3 mt -58.5 -39.67 80.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.015 -0.539 . . . . 28.37 110.734 179.916 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 78' ' ' TYR . . . . . 0.574 ' OH ' HD13 ' A' ' 58' ' ' LEU . 26.5 m-85 -85.01 -42.78 14.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 34.13 110.716 179.81 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 31.6 ttpt . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.046 -0.525 . . . . 41.93 110.945 179.963 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.195 0 CA-C-O 120.874 0.368 . . . . 30.23 110.572 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -63.36 -43.91 96.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.068 -0.514 . . . . 28.09 110.32 179.506 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 57' ' ' ARG . . . . . . . . . . . . . 42.6 ttm-85 -67.9 -42.73 80.7 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.852 -0.613 . . . . 26.82 110.326 179.472 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 58' ' ' LEU . . . . . 0.592 HD13 ' OH ' ' D' ' 78' ' ' TYR . 12.1 mt -57.82 -48.55 79.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.805 -0.634 . . . . 28.22 110.648 179.552 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.94 -41.38 61.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.026 -0.534 . . . . 24.18 110.874 179.887 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -72.82 -31.4 64.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.123 -0.489 . . . . 26.69 110.571 179.84 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.97 -51.82 29.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 27.04 110.686 179.778 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' C' C ' 62' ' ' GLN . . . . . 0.703 ' HA ' HD12 ' C' ' 65' ' ' LEU . 47.6 mm-40 -58.14 -44.48 87.84 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.95 -0.568 . . . . 19.21 110.748 179.795 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' C' C ' 63' ' ' SER . . . . . . . . . . . . . 3.3 p -63.02 -35.35 79.93 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.008 -0.542 . . . . 15.82 110.702 179.91 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -57.52 -41.95 81.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 18.43 110.81 179.857 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 65' ' ' LEU . . . . . 0.703 HD12 ' HA ' ' C' ' 62' ' ' GLN . 2.1 mt -64.47 -39.08 93.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 16.79 110.619 179.784 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' C' C ' 66' ' ' VAL . . . . . . . . . . . . . 50.9 t -69.5 -45.87 77.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 9.96 110.967 179.842 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 67' ' ' LYS . . . . . . . . . . . . . 17.2 tttm -59.28 -57.93 10.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.213 -0.449 . . . . 18.31 110.416 179.626 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.54 -31.46 64.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 20.1 110.277 179.489 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' C' C ' 69' ' ' MET . . . . . . . . . . . . . 13.6 tmm? -69.37 -42.62 74.94 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.994 -0.548 . . . . 8.97 110.528 179.52 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 70' ' ' VAL . . . . . 0.406 HG13 ' HG ' ' C' ' 74' ' ' LEU . 43.4 t -69.58 -33.03 54.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.918 -0.583 . . . . 5.89 110.612 179.68 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' C' C ' 71' ' ' PHE . . . . . 0.423 ' O ' ' CB ' ' C' ' 75' ' ' LYS . 10.7 t80 -55.22 -58.36 8.0 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.198 -0.455 . . . . 16.96 110.321 179.701 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -52.5 -50.99 61.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 8.39 110.664 179.82 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 73' ' ' THR . . . . . . . . . . . . . 18.9 m -57.03 -71.13 0.1 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.373 -0.376 . . . . 12.15 110.297 179.708 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 74' ' ' LEU . . . . . 0.718 HD12 ' HB2' ' D' ' 62' ' ' GLN . 12.5 mt -49.56 -37.78 28.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.121 -0.491 . . . . 18.67 111.083 179.964 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' C' C ' 75' ' ' LYS . . . . . 0.423 ' CB ' ' O ' ' C' ' 71' ' ' PHE . 2.9 ttpt -54.71 -68.87 0.15 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.126 0.489 . . . . 19.75 110.354 179.473 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' C' C ' 76' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.16 -25.11 67.57 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.581 -0.736 . . . . 15.5 111.041 179.798 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' C' C ' 77' ' ' LEU . . . . . 0.616 HD12 ' C ' ' C' ' 77' ' ' LEU . 0.7 OUTLIER -71.67 -65.55 0.74 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.262 -0.426 . . . . 19.11 110.782 -179.895 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' C' C ' 78' ' ' TYR . . . . . 0.605 ' OH ' HG13 ' B' ' 70' ' ' VAL . 19.0 m-85 -52.66 -32.36 41.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.428 -0.351 . . . . 25.83 110.586 179.777 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 14.8 ttmt -58.59 -35.24 72.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 27.44 110.61 179.635 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 7.9 ttpt -70.03 -28.93 65.88 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.21 -0.45 . . . . 30.36 110.894 179.79 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 116.12 -0.491 . . . . 34.7 110.965 179.873 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.767 0.318 . . . . 33.92 110.866 . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' D' D ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.18 -44.45 95.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.23 -0.441 . . . . 33.04 110.883 179.959 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.25 -48.99 71.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 31.67 110.739 179.729 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' D' D ' 57' ' ' ARG . . . . . . . . . . . . . 78.9 mtt180 -57.4 -34.01 68.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.125 -0.489 . . . . 25.95 110.818 179.927 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' D' D ' 58' ' ' LEU . . . . . 0.848 HD22 HG23 ' B' ' 73' ' ' THR . 17.4 mt -67.79 -59.8 3.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.101 -0.5 . . . . 18.51 110.919 -179.923 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' D' D ' 59' ' ' ALA . . . . . . . . . . . . . . . -45.97 -34.79 4.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.994 -0.548 . . . . 18.16 111.068 179.901 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' D' D ' 60' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -62.44 -48.5 79.39 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.051 -0.522 . . . . 22.67 110.601 179.792 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' D' D ' 61' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -61.87 -33.35 74.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 16.96 110.604 179.647 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' D' D ' 62' ' ' GLN . . . . . 0.722 ' O ' HG23 ' D' ' 66' ' ' VAL . 5.4 mm-40 -72.23 -49.01 38.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.042 -0.526 . . . . 15.14 110.697 179.654 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' D' D ' 63' ' ' SER . . . . . . . . . . . . . 1.3 m -52.4 -60.04 3.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.187 -0.461 . . . . 13.11 110.689 179.979 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' D' D ' 64' ' ' GLU . . . . . . . . . . . . . 26.4 pt-20 -51.06 -35.46 34.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 8.58 110.802 179.81 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' D' D ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.28 -41.36 81.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.055 -0.521 . . . . 5.26 110.72 179.75 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' D' D ' 66' ' ' VAL . . . . . 0.722 HG23 ' O ' ' D' ' 62' ' ' GLN . 18.5 t -64.48 -35.33 74.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.256 -0.429 . . . . 6.73 111.133 179.887 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' D' D ' 67' ' ' LYS . . . . . . . . . . . . . 11.9 tttt -63.33 -53.25 55.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 17.19 110.94 -179.939 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' D' D ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.15 -30.41 64.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.356 -0.384 . . . . 17.55 110.626 179.926 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' D' D ' 69' ' ' MET . . . . . . . . . . . . . 50.9 ttp -72.05 -53.95 11.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.059 -0.519 . . . . 12.85 110.835 179.865 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' D' D ' 70' ' ' VAL . . . . . 0.494 HG13 ' OH ' ' A' ' 78' ' ' TYR . 62.1 t -74.7 -20.36 16.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.283 -0.417 . . . . 15.34 111.235 179.965 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 21.7 t80 -65.29 -49.3 70.03 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.907 0.384 . . . . 25.04 110.621 179.667 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -65.14 -41.09 95.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.135 -0.484 . . . . 28.8 110.71 179.784 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' D' D ' 73' ' ' THR . . . . . 0.835 HG23 HD22 ' B' ' 58' ' ' LEU . 96.2 m -58.29 -58.57 7.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.042 -0.526 . . . . 21.53 110.813 179.801 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' D' D ' 74' ' ' LEU . . . . . 0.574 ' HA ' HD12 ' D' ' 77' ' ' LEU . 30.2 mt -51.51 -42.07 61.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.479 . . . . 21.13 110.932 -180.0 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' D' D ' 75' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -50.54 -48.4 57.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.264 -0.426 . . . . 27.39 110.706 179.915 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' D' D ' 76' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.7 -32.03 67.39 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.975 -0.557 . . . . 31.07 110.643 179.8 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' D' D ' 77' ' ' LEU . . . . . 0.574 HD12 ' HA ' ' D' ' 74' ' ' LEU . 20.6 mt -58.54 -39.68 80.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.044 -0.525 . . . . 30.6 110.719 179.873 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' D' D ' 78' ' ' TYR . . . . . 0.592 ' OH ' HD13 ' C' ' 58' ' ' LEU . 26.1 m-85 -84.91 -42.79 14.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.099 -0.5 . . . . 32.87 110.672 179.849 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' D' D ' 79' ' ' LYS . . . . . . . . . . . . . 31.8 ttpt . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.022 -0.535 . . . . 39.32 110.947 179.995 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 14.8 ptt180 . . . . . 0 N--CA 1.487 1.416 0 CA-C-O 120.856 0.36 . . . . 42.79 111.225 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -147.07 86.18 1.63 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.222 -0.444 . . . . 39.15 110.927 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.421 ' O ' ' CB ' ' A' ' 58' ' ' LEU . 0.7 OUTLIER -69.08 -32.59 72.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 37.0 110.911 -179.951 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.62 -35.77 81.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.346 -0.388 . . . . 33.65 110.668 179.719 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -64.05 -55.25 23.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.042 -0.526 . . . . 29.16 110.598 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.58 -43.72 75.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.901 -0.591 . . . . 34.44 110.339 179.522 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.639 ' C ' HD13 ' A' ' 58' ' ' LEU . 2.1 tm? -60.09 -46.82 88.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.817 -0.629 . . . . 25.07 110.687 179.622 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.25 -39.0 74.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.102 -0.499 . . . . 20.4 111.021 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -57.51 -41.34 80.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.491 . . . . 20.28 110.811 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.3 -63.46 1.3 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.49 . . . . 22.08 110.945 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 9.4 mp0 -50.24 -45.52 54.14 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.984 -0.553 . . . . 25.08 110.876 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 55.5 p -60.03 -40.73 90.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 17.3 110.745 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.418 ' O ' ' HG2' ' A' ' 67' ' ' LYS . 0.6 OUTLIER -66.39 -27.47 67.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.305 -0.407 . . . . 25.63 110.735 179.811 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 83.8 mt -71.96 -36.56 69.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.276 -0.42 . . . . 17.29 110.424 179.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 60.4 t -74.66 -44.17 46.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.931 -0.577 . . . . 14.98 111.159 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.418 ' HG2' ' O ' ' A' ' 64' ' ' GLU . 14.3 ptmt -58.9 -41.54 87.45 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.87 0.367 . . . . 12.79 110.587 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.55 -40.59 93.02 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.138 -0.483 . . . . 12.07 110.213 179.488 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 12.1 tmm? -62.88 -47.03 85.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.874 -0.603 . . . . 8.14 110.414 179.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.4 HG13 ' HG ' ' A' ' 74' ' ' LEU . 56.1 t -59.47 -39.66 79.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.158 -0.474 . . . . 9.1 110.5 179.628 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.472 ' CE2' ' HE2' ' A' ' 75' ' ' LYS . 24.8 t80 -53.07 -57.37 10.62 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.19 -0.459 . . . . 12.11 110.187 179.529 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 38.8 m-20 -52.8 -50.86 62.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.145 -0.48 . . . . 11.41 110.739 179.719 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.6 m -59.85 -69.62 0.2 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.293 -0.412 . . . . 12.38 110.342 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.728 HD12 ' HB2' ' B' ' 62' ' ' GLN . 13.0 mt -49.67 -36.8 26.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 14.13 111.259 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.472 ' HE2' ' CE2' ' A' ' 71' ' ' PHE . 7.4 ttpt -53.62 -69.34 0.12 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.025 0.44 . . . . 13.41 110.284 179.657 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -61.26 -32.25 72.06 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.741 -0.663 . . . . 16.8 111.169 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.734 ' O ' HD12 ' A' ' 77' ' ' LEU . 2.2 tp -67.24 -41.32 85.85 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.475 -0.33 . . . . 21.2 110.766 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.735 ' CZ ' HG21 ' D' ' 73' ' ' THR . 16.6 m-30 -75.0 -18.61 60.34 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.275 -0.421 . . . . 24.45 110.804 179.494 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.44 -32.11 58.25 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.436 -0.347 . . . . 25.63 110.65 179.534 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 2.3 ttpp -58.4 -30.82 67.13 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.389 -0.369 . . . . 27.48 110.891 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.574 ' OG1' HD22 ' D' ' 77' ' ' LEU . 44.4 p -77.16 -53.98 7.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.235 -0.439 . . . . 32.91 110.775 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.4 t . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.214 -0.898 . . . . 36.23 110.825 179.983 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.796 0.332 . . . . 47.91 111.168 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' ASN . . . . . 0.454 ' ND2' ' HB3' ' B' ' 55' ' ' ALA . 0.2 OUTLIER 177.73 175.37 0.47 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.253 -0.43 . . . . 40.02 110.994 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -53.27 -31.15 42.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 34.64 111.156 -179.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' ALA . . . . . 0.454 ' HB3' ' ND2' ' B' ' 53' ' ' ASN . . . -55.4 -33.34 63.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.425 . . . . 30.87 111.109 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -76.74 -58.5 3.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 32.24 110.894 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 46.9 mtp85 -50.89 -29.16 11.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 27.54 110.657 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . 0.74 HD22 HG23 ' D' ' 73' ' ' THR . 20.1 mt -70.59 -62.72 1.28 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.116 -0.493 . . . . 22.39 110.438 179.536 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -45.78 -29.3 1.27 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.832 -0.622 . . . . 19.21 111.148 179.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -71.49 -43.58 66.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.035 -0.529 . . . . 16.87 110.572 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . 0.524 ' O ' HD12 ' B' ' 65' ' ' LEU . 17.6 mm-40 -65.51 -32.14 73.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.491 . . . . 11.16 110.685 179.785 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . 0.728 ' HB2' HD12 ' A' ' 74' ' ' LEU . 3.4 mm-40 -72.55 -47.15 50.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 11.18 110.599 179.818 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.81 -61.25 2.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.259 -0.428 . . . . 16.54 110.566 179.752 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -50.58 -39.23 49.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.992 0.425 . . . . 17.32 110.5 179.565 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . 0.524 HD12 ' O ' ' B' ' 61' ' ' GLU . 0.2 OUTLIER -65.01 -46.87 79.56 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.969 -0.56 . . . . 10.11 110.574 179.634 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . 0.655 HG23 ' O ' ' B' ' 62' ' ' GLN . 25.6 t -68.95 -33.56 59.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.217 -0.447 . . . . 8.35 110.831 179.643 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.58 -59.19 5.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.087 -0.506 . . . . 15.78 110.687 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 8.5 mttt -53.02 -32.88 49.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.268 -0.424 . . . . 8.78 110.734 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 69' ' ' MET . . . . . 0.433 ' CE ' ' HB3' ' D' ' 62' ' ' GLN . 29.0 ttp -70.56 -51.13 30.56 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.058 -0.519 . . . . 10.9 110.804 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.401 HG23 ' O ' ' B' ' 66' ' ' VAL . 61.8 t -72.39 -25.28 22.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.132 -0.486 . . . . 10.96 111.066 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 14.8 t80 -60.5 -48.05 83.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 18.08 110.777 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -66.01 -41.78 90.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.068 -0.514 . . . . 24.02 110.728 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 73' ' ' THR . . . . . 0.779 HG23 HD22 ' D' ' 58' ' ' LEU . 73.8 m -52.47 -58.3 7.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.105 -0.498 . . . . 22.47 110.772 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 74' ' ' LEU . . . . . 0.69 HD23 HD12 ' B' ' 77' ' ' LEU . 86.6 mt -50.68 -38.8 48.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 26.89 110.847 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 2.2 ttpt -53.65 -51.3 63.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.983 0.421 . . . . 29.75 110.49 179.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -68.58 -35.48 77.43 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.902 -0.59 . . . . 28.64 110.677 179.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.69 HD12 HD23 ' B' ' 74' ' ' LEU . 17.2 mt -55.64 -45.21 77.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.112 -0.495 . . . . 28.18 110.825 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 78' ' ' TYR . . . . . 0.578 ' CE1' HG22 ' C' ' 81' ' ' THR . 11.7 m-85 -78.78 -30.25 45.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.079 -0.51 . . . . 34.53 110.689 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.65 -43.05 62.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.083 -0.508 . . . . 41.57 110.781 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.42 -33.04 71.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.977 -0.556 . . . . 42.2 110.977 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 1.3 t -150.93 100.91 2.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 40.1 111.075 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.263 -0.875 . . . . 47.5 110.862 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 52' ' ' ARG . . . . . . . . . . . . . 14.7 ptt180 . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.782 0.325 . . . . 46.15 111.304 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 53' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -146.83 86.16 1.65 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 35.6 110.885 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 54' ' ' ASP . . . . . 0.418 ' O ' ' CB ' ' C' ' 58' ' ' LEU . 0.8 OUTLIER -69.05 -32.6 72.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 38.87 110.952 179.913 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.61 -35.67 81.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.287 -0.415 . . . . 30.36 110.627 179.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -64.25 -55.23 22.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.106 -0.497 . . . . 28.24 110.549 179.679 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.5 -43.61 76.46 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.976 -0.556 . . . . 28.74 110.342 179.548 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 58' ' ' LEU . . . . . 0.636 HD13 ' C ' ' C' ' 58' ' ' LEU . 2.1 tm? -60.33 -46.66 89.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.802 -0.636 . . . . 29.59 110.669 179.661 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.18 -39.3 75.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 25.05 110.964 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -57.29 -41.37 79.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.128 -0.487 . . . . 25.47 110.787 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.36 -63.42 1.31 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 25.41 110.918 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 9.3 mp0 -50.07 -45.85 52.78 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.063 -0.517 . . . . 19.05 110.827 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 63' ' ' SER . . . . . . . . . . . . . 57.2 p -59.73 -40.66 88.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.105 -0.498 . . . . 16.32 110.814 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 64' ' ' GLU . . . . . 0.416 ' O ' ' HG2' ' C' ' 67' ' ' LYS . 0.6 OUTLIER -66.55 -27.26 67.61 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.198 -0.455 . . . . 18.22 110.77 179.86 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 65' ' ' LEU . . . . . . . . . . . . . 83.8 mt -72.18 -36.44 69.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 17.89 110.398 179.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 66' ' ' VAL . . . . . . . . . . . . . 60.4 t -74.75 -44.15 46.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.913 -0.585 . . . . 10.01 111.084 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 67' ' ' LYS . . . . . 0.416 ' HG2' ' O ' ' C' ' 64' ' ' GLU . 14.2 ptmt -58.92 -41.63 87.75 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.319 -0.401 . . . . 15.65 110.55 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.58 -40.49 92.79 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.175 -0.466 . . . . 20.86 110.254 179.511 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 69' ' ' MET . . . . . . . . . . . . . 12.1 tmm? -63.02 -46.64 86.67 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.871 -0.604 . . . . 9.37 110.49 179.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 70' ' ' VAL . . . . . 0.409 HG13 ' HG ' ' C' ' 74' ' ' LEU . 56.1 t -59.81 -39.78 80.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.214 -0.448 . . . . 6.76 110.445 179.678 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 71' ' ' PHE . . . . . 0.463 ' CE2' ' HE2' ' C' ' 75' ' ' LYS . 24.9 t80 -52.7 -57.6 9.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 18.23 110.255 179.455 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 38.4 m-20 -52.73 -50.92 62.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.1 -0.5 . . . . 11.95 110.679 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 73' ' ' THR . . . . . . . . . . . . . 18.4 m -59.82 -69.25 0.22 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.349 -0.387 . . . . 10.62 110.332 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 74' ' ' LEU . . . . . 0.718 HD12 ' HB2' ' D' ' 62' ' ' GLN . 12.8 mt -50.08 -36.49 29.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 17.82 111.134 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 75' ' ' LYS . . . . . 0.463 ' HE2' ' CE2' ' C' ' 71' ' ' PHE . 7.3 ttpt -53.94 -69.52 0.12 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.048 0.451 . . . . 19.47 110.335 179.629 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 76' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -60.92 -32.34 71.84 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.713 -0.676 . . . . 16.29 111.077 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 77' ' ' LEU . . . . . 0.733 ' O ' HD12 ' C' ' 77' ' ' LEU . 2.2 tp -67.23 -41.39 85.77 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.463 -0.335 . . . . 19.27 110.807 -179.798 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 78' ' ' TYR . . . . . 0.718 ' CZ ' HG21 ' B' ' 73' ' ' THR . 16.7 m-30 -75.02 -18.39 60.35 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.349 -0.387 . . . . 26.03 110.803 179.542 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.57 -32.18 58.0 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.418 -0.355 . . . . 27.07 110.593 179.593 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 2.3 ttpp -58.54 -30.64 67.27 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.344 -0.389 . . . . 30.87 110.834 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 81' ' ' THR . . . . . 0.578 HG22 ' CE1' ' B' ' 78' ' ' TYR . 44.6 p -77.37 -53.89 7.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.939 0.4 . . . . 34.53 110.785 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 82' ' ' THR . . . . . . . . . . . . . 1.4 t . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.332 -0.842 . . . . 39.66 110.823 179.871 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 52' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.71 0.29 . . . . 48.65 111.188 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 53' ' ' ASN . . . . . 0.445 ' ND2' ' HB3' ' D' ' 55' ' ' ALA . 0.2 OUTLIER 177.82 175.48 0.48 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.316 -0.402 . . . . 40.53 110.994 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -53.39 -30.93 42.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.085 -0.507 . . . . 33.61 111.152 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 55' ' ' ALA . . . . . 0.445 ' HB3' ' ND2' ' D' ' 53' ' ' ASN . . . -55.67 -33.26 63.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 32.39 111.086 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -76.79 -58.31 3.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 31.6 110.861 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 57' ' ' ARG . . . . . . . . . . . . . 46.9 mtp85 -51.17 -29.06 12.7 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.272 -0.422 . . . . 23.34 110.621 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 58' ' ' LEU . . . . . 0.779 HD22 HG23 ' B' ' 73' ' ' THR . 20.2 mt -70.63 -62.75 1.27 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.104 -0.498 . . . . 18.91 110.488 179.537 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 59' ' ' ALA . . . . . . . . . . . . . . . -45.65 -29.41 1.23 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.791 -0.64 . . . . 19.15 111.168 179.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 60' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -71.48 -43.68 66.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.945 -0.571 . . . . 24.01 110.574 179.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 61' ' ' GLU . . . . . 0.515 ' O ' HD12 ' D' ' 65' ' ' LEU . 17.6 mm-40 -65.52 -31.96 73.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 17.4 110.68 179.818 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 62' ' ' GLN . . . . . 0.718 ' HB2' HD12 ' C' ' 74' ' ' LEU . 3.5 mm-40 -72.61 -47.18 49.9 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.234 -0.439 . . . . 14.76 110.619 179.796 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 63' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.72 -61.11 2.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.294 -0.412 . . . . 13.02 110.587 179.713 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 64' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -50.7 -39.45 51.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.446 . . . . 8.27 110.497 179.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 65' ' ' LEU . . . . . 0.515 HD12 ' O ' ' D' ' 61' ' ' GLU . 0.2 OUTLIER -64.78 -46.98 79.79 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.837 -0.62 . . . . 5.59 110.538 179.629 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' D' D ' 66' ' ' VAL . . . . . 0.665 HG23 ' O ' ' D' ' 62' ' ' GLN . 25.4 t -69.0 -33.11 57.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.239 -0.437 . . . . 5.84 110.917 179.673 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 67' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.05 -58.51 7.56 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.127 -0.488 . . . . 11.96 110.784 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 68' ' ' LYS . . . . . . . . . . . . . 8.5 mttt -53.61 -32.98 53.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 19.72 110.674 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 69' ' ' MET . . . . . 0.431 ' CE ' ' HB3' ' B' ' 62' ' ' GLN . 29.1 ttp -70.14 -51.54 30.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.992 -0.549 . . . . 12.99 110.827 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 70' ' ' VAL . . . . . . . . . . . . . 62.3 t -72.2 -25.13 23.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.031 -0.532 . . . . 15.14 111.073 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 14.5 t80 -60.64 -48.03 83.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 24.61 110.717 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -65.9 -41.77 91.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 28.78 110.78 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 73' ' ' THR . . . . . 0.74 HG23 HD22 ' B' ' 58' ' ' LEU . 76.4 m -52.5 -58.29 7.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 22.34 110.767 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 74' ' ' LEU . . . . . 0.7 HD23 HD12 ' D' ' 77' ' ' LEU . 85.6 mt -50.6 -39.03 48.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.489 . . . . 20.76 110.845 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 75' ' ' LYS . . . . . . . . . . . . . 2.1 ttpt -53.57 -51.02 64.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 25.87 110.519 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 76' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -68.83 -35.51 77.05 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.904 -0.589 . . . . 30.83 110.655 179.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 77' ' ' LEU . . . . . 0.7 HD12 HD23 ' D' ' 74' ' ' LEU . 17.3 mt -55.64 -45.28 77.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.043 -0.526 . . . . 30.15 110.826 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 78' ' ' TYR . . . . . 0.507 ' CE1' HG22 ' A' ' 81' ' ' THR . 11.8 m-85 -78.82 -30.04 45.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.024 -0.535 . . . . 31.7 110.664 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.88 -43.1 63.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.068 -0.515 . . . . 40.82 110.705 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.25 -33.35 72.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.088 -0.505 . . . . 38.74 110.928 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 81' ' ' THR . . . . . . . . . . . . . 1.2 t -150.64 100.95 2.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.459 . . . . 39.18 111.028 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 82' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.248 -0.882 . . . . 44.55 110.838 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 62.7 ttt-85 . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.794 0.33 . . . . 47.53 111.215 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 14.1 t30 -95.36 54.58 1.63 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.17 -0.468 . . . . 42.74 111.07 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -58.53 -23.77 59.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 40.34 110.891 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.63 -41.81 98.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.376 -0.375 . . . . 35.74 110.792 179.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -65.96 -52.9 45.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 30.9 110.529 179.653 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 24.8 mtm180 -62.07 -44.7 96.1 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.941 -0.572 . . . . 38.79 110.341 179.39 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.431 HD23 ' HA ' ' A' ' 58' ' ' LEU . 14.9 mt -55.7 -53.32 58.08 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.883 -0.599 . . . . 29.34 110.663 179.652 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -50.18 -32.34 16.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 21.27 110.908 179.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -81.19 -29.45 34.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.478 . . . . 18.7 110.617 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -77.46 -49.09 15.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.086 -0.506 . . . . 20.51 110.629 179.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.485 ' HA ' HD12 ' A' ' 65' ' ' LEU . 54.8 mm-40 -63.16 -39.49 94.82 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.847 -0.615 . . . . 23.55 110.462 179.655 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 55.6 p -66.6 -36.37 82.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.031 -0.532 . . . . 18.92 110.39 179.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -57.27 -43.97 83.56 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.08 -0.509 . . . . 26.54 110.446 179.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.485 HD12 ' HA ' ' A' ' 62' ' ' GLN . 1.5 mt -59.5 -41.13 89.17 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.076 -0.511 . . . . 19.32 110.31 179.558 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 61.7 t -69.49 -49.57 58.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.974 -0.557 . . . . 14.81 110.733 179.507 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.9 tttt -61.32 -41.39 96.94 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.236 -0.438 . . . . 8.19 110.35 179.533 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 32.7 ttpt -64.8 -36.66 85.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.033 -0.53 . . . . 14.61 110.364 179.606 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 24.0 ttp -65.53 -39.58 91.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.992 -0.549 . . . . 8.36 110.502 179.663 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 70.3 t -68.1 -45.28 83.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.084 -0.507 . . . . 9.51 110.826 179.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.427 ' O ' ' CB ' ' A' ' 75' ' ' LYS . 73.3 t80 -51.15 -62.79 1.4 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.493 -0.321 . . . . 16.74 110.429 179.808 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -50.55 -39.09 48.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.281 -0.418 . . . . 12.9 110.537 179.558 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.6 m -68.39 -73.81 0.14 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.065 -0.516 . . . . 9.95 110.358 179.601 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.746 HD12 ' HB2' ' B' ' 62' ' ' GLN . 19.0 mt -49.04 -34.54 13.67 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.061 -0.518 . . . . 13.11 111.045 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.427 ' CB ' ' O ' ' A' ' 71' ' ' PHE . 6.9 tttt -54.58 -68.9 0.15 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.031 -0.532 . . . . 15.65 110.071 179.369 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -63.49 -29.56 70.82 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.592 -0.731 . . . . 18.54 110.883 179.674 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.602 ' C ' HD12 ' A' ' 77' ' ' LEU . 0.6 OUTLIER -65.96 -65.65 0.65 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.273 -0.421 . . . . 21.54 110.586 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.463 ' OH ' HG13 ' D' ' 70' ' ' VAL . 22.6 m-30 -53.92 -27.06 28.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.419 -0.355 . . . . 27.07 110.855 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 12.7 mttt -67.69 -31.18 70.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 24.49 110.957 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -75.03 -27.81 60.22 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.148 -0.478 . . . . 29.52 110.957 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.8 -62.21 1.48 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.031 -0.532 . . . . 33.93 111.092 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.2 p . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.253 -0.88 . . . . 39.17 110.989 -179.794 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.783 0.325 . . . . 42.84 111.083 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -128.47 24.77 5.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.282 -0.417 . . . . 38.32 111.096 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -70.77 -22.05 62.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.171 -0.468 . . . . 33.18 111.068 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.55 -46.98 77.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.83 0.348 . . . . 29.41 110.936 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -62.1 -53.13 59.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 33.04 110.61 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.25 -36.53 61.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 25.67 110.762 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . 0.8 HD22 HG23 ' D' ' 73' ' ' THR . 4.5 mt -63.99 -58.72 5.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.974 -0.557 . . . . 22.47 110.883 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 59' ' ' ALA . . . . . 0.43 ' HB1' ' HB2' ' A' ' 74' ' ' LEU . . . -46.5 -37.14 7.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.908 -0.587 . . . . 20.31 110.875 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -58.96 -48.33 81.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.939 -0.573 . . . . 21.15 110.683 179.64 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . 0.407 ' O ' ' HG2' ' B' ' 64' ' ' GLU . 27.5 mt-10 -60.59 -36.51 78.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 14.55 110.273 179.649 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . 0.746 ' HB2' HD12 ' A' ' 74' ' ' LEU . 7.9 mm-40 -68.39 -51.75 40.61 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.892 -0.594 . . . . 10.36 110.432 179.486 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -50.2 -65.3 0.58 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.022 -0.535 . . . . 16.14 110.953 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . 0.407 ' HG2' ' O ' ' B' ' 61' ' ' GLU . 13.2 pt-20 -46.91 -32.61 3.93 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.867 0.365 . . . . 15.81 111.004 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.32 -41.29 81.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.049 -0.523 . . . . 10.23 110.674 179.525 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . 0.484 HG23 ' O ' ' B' ' 62' ' ' GLN . 36.4 t -66.61 -38.28 81.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.102 -0.499 . . . . 7.75 111.261 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . 0.4 ' O ' ' N ' ' B' ' 71' ' ' PHE . 2.3 tttt -58.09 -51.86 67.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 10.47 111.139 -179.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 77.3 tttt -58.78 -32.15 69.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.409 -0.36 . . . . 11.06 110.911 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 69' ' ' MET . . . . . 0.435 ' CE ' ' HB3' ' D' ' 62' ' ' GLN . 23.1 ttp -71.37 -49.61 40.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 11.17 110.85 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.584 HG13 ' OH ' ' C' ' 78' ' ' TYR . 53.1 t -76.94 -24.36 15.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.121 -0.491 . . . . 10.93 111.105 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.4 ' N ' ' O ' ' B' ' 67' ' ' LYS . 32.2 t80 -60.68 -52.08 66.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.255 -0.429 . . . . 17.48 110.647 179.771 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.27 -40.28 93.72 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.153 -0.476 . . . . 24.81 110.587 179.661 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 73' ' ' THR . . . . . 0.792 HG23 HD22 ' D' ' 58' ' ' LEU . 60.3 m -55.82 -55.23 34.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 24.47 110.684 179.683 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 74' ' ' LEU . . . . . 0.405 ' HA ' ' HB2' ' B' ' 77' ' ' LEU . 13.6 mt -58.1 -42.01 84.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.164 -0.471 . . . . 26.4 110.882 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 3.4 ttpt -49.61 -41.41 42.14 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.255 -0.43 . . . . 26.86 110.628 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -77.71 -31.46 52.32 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.937 -0.574 . . . . 27.56 110.481 179.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.405 ' HB2' ' HA ' ' B' ' 74' ' ' LEU . 18.4 mt -63.87 -41.6 97.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.981 -0.554 . . . . 28.12 110.843 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 78' ' ' TYR . . . . . 0.417 ' CE1' HG22 ' C' ' 81' ' ' THR . 15.0 m-85 -84.16 -39.33 19.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 32.86 110.87 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 79' ' ' LYS . . . . . 0.43 ' O ' HG23 ' B' ' 82' ' ' THR . 11.2 tttm -53.01 -47.04 68.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.022 -0.535 . . . . 42.83 110.891 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.5 -56.89 7.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 40.69 110.763 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . 0.621 HG21 ' HA ' ' C' ' 82' ' ' THR . 46.7 p -71.14 62.16 0.31 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 39.34 111.043 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.43 HG23 ' O ' ' B' ' 79' ' ' LYS . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.262 -0.875 . . . . 47.19 110.891 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 52' ' ' ARG . . . . . . . . . . . . . 62.8 ttt-85 . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.828 0.347 . . . . 47.13 111.202 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 53' ' ' ASN . . . . . . . . . . . . . 14.3 t30 -95.44 54.52 1.61 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.458 . . . . 36.97 111.038 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -58.34 -23.83 57.87 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.224 -0.444 . . . . 36.19 110.965 179.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.52 -42.26 98.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.321 -0.4 . . . . 30.09 110.722 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -65.58 -52.86 48.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 28.21 110.492 179.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 57' ' ' ARG . . . . . . . . . . . . . 24.6 mtm180 -62.27 -44.64 96.07 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.939 -0.573 . . . . 25.87 110.315 179.539 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 58' ' ' LEU . . . . . 0.451 HD23 ' HA ' ' C' ' 58' ' ' LEU . 15.1 mt -55.67 -53.48 56.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.843 -0.617 . . . . 26.51 110.598 179.536 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -50.0 -32.42 15.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 23.7 110.878 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -81.18 -29.29 34.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 25.75 110.673 179.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -77.71 -48.98 15.4 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.06 -0.518 . . . . 27.57 110.641 179.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 62' ' ' GLN . . . . . 0.506 ' HA ' HD12 ' C' ' 65' ' ' LEU . 54.6 mm-40 -63.21 -39.55 94.95 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.83 -0.623 . . . . 20.07 110.491 179.609 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 63' ' ' SER . . . . . . . . . . . . . 55.6 p -66.38 -36.72 83.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.036 -0.529 . . . . 15.95 110.347 179.54 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -56.98 -44.28 82.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.077 -0.51 . . . . 18.46 110.474 179.68 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 65' ' ' LEU . . . . . 0.506 HD12 ' HA ' ' C' ' 62' ' ' GLN . 1.5 mt -59.19 -41.07 87.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.079 -0.51 . . . . 15.77 110.305 179.534 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 66' ' ' VAL . . . . . . . . . . . . . 61.9 t -69.72 -49.45 57.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.02 -0.537 . . . . 10.05 110.735 179.617 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 67' ' ' LYS . . . . . 0.439 ' CG ' ' HB2' ' D' ' 63' ' ' SER . 13.9 tttt -61.37 -41.34 96.93 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.193 -0.458 . . . . 18.97 110.291 179.556 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 68' ' ' LYS . . . . . . . . . . . . . 32.7 ttpt -64.77 -36.87 85.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.048 -0.524 . . . . 20.72 110.375 179.542 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 69' ' ' MET . . . . . . . . . . . . . 23.7 ttp -65.37 -39.42 92.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.038 -0.528 . . . . 7.84 110.477 179.649 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 63.2 t -68.32 -45.07 83.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.082 -0.508 . . . . 4.41 110.784 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 71' ' ' PHE . . . . . 0.433 ' O ' ' CB ' ' C' ' 75' ' ' LYS . 73.7 t80 -51.45 -62.65 1.49 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.444 -0.344 . . . . 13.6 110.538 179.707 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -50.74 -39.03 50.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 7.03 110.566 179.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 73' ' ' THR . . . . . . . . . . . . . 18.9 m -68.47 -73.94 0.13 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.957 -0.565 . . . . 13.18 110.32 179.574 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 74' ' ' LEU . . . . . 0.666 HD12 ' HB2' ' D' ' 62' ' ' GLN . 19.1 mt -48.72 -34.83 12.77 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.188 -0.46 . . . . 18.75 111.023 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 75' ' ' LYS . . . . . 0.433 ' CB ' ' O ' ' C' ' 71' ' ' PHE . 6.9 tttt -54.4 -68.91 0.15 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.029 -0.532 . . . . 21.25 110.169 179.341 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 76' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -63.62 -29.44 70.68 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.681 -0.69 . . . . 14.52 110.826 179.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 77' ' ' LEU . . . . . 0.614 HD12 ' C ' ' C' ' 77' ' ' LEU . 0.6 OUTLIER -66.04 -65.65 0.65 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.295 -0.411 . . . . 19.16 110.586 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' C' C ' 78' ' ' TYR . . . . . 0.584 ' OH ' HG13 ' B' ' 70' ' ' VAL . 22.7 m-30 -53.93 -27.26 29.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.38 -0.373 . . . . 25.07 110.767 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 12.7 mttt -67.41 -31.43 71.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 26.41 110.936 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -74.87 -27.77 60.39 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.201 -0.454 . . . . 28.82 110.975 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 81' ' ' THR . . . . . 0.417 HG22 ' CE1' ' B' ' 78' ' ' TYR . 0.0 OUTLIER -68.95 -61.83 1.63 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.148 -0.478 . . . . 33.46 111.172 -179.887 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' C' C ' 82' ' ' THR . . . . . 0.621 ' HA ' HG21 ' B' ' 81' ' ' THR . 1.2 p . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.242 -0.885 . . . . 40.09 110.922 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.779 0.323 . . . . 44.68 111.273 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -128.56 24.87 5.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 41.95 111.077 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -70.86 -22.08 62.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 35.25 111.04 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.45 -47.07 76.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.828 0.346 . . . . 33.91 110.977 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -62.09 -53.01 61.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 30.35 110.707 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 57' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.18 -36.62 61.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.49 . . . . 24.49 110.74 179.651 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 58' ' ' LEU . . . . . 0.792 HD22 HG23 ' B' ' 73' ' ' THR . 4.7 mt -63.99 -58.41 6.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.043 -0.526 . . . . 19.35 110.884 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 59' ' ' ALA . . . . . . . . . . . . . . . -47.45 -35.25 8.31 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.974 -0.557 . . . . 17.77 110.939 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 60' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -60.6 -47.45 86.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.007 -0.542 . . . . 23.18 110.462 179.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 61' ' ' GLU . . . . . 0.401 ' O ' ' HG2' ' D' ' 64' ' ' GLU . 27.7 mt-10 -61.48 -36.93 81.83 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.155 -0.475 . . . . 16.09 110.353 179.523 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 62' ' ' GLN . . . . . 0.666 ' HB2' HD12 ' C' ' 74' ' ' LEU . 7.7 mm-40 -67.88 -49.72 60.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.007 -0.542 . . . . 15.34 110.347 179.415 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 63' ' ' SER . . . . . 0.439 ' HB2' ' CG ' ' C' ' 67' ' ' LYS . 0.2 OUTLIER -50.96 -67.43 0.25 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.885 -0.598 . . . . 13.09 110.959 179.874 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' D' D ' 64' ' ' GLU . . . . . 0.401 ' HG2' ' O ' ' D' ' 61' ' ' GLU . 13.2 pt-20 -45.77 -32.26 2.43 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.148 -0.478 . . . . 12.17 111.002 -179.817 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.77 -41.69 78.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 5.79 110.547 179.579 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 66' ' ' VAL . . . . . 0.53 HG23 ' O ' ' D' ' 62' ' ' GLN . 35.0 t -66.44 -38.2 81.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.127 -0.488 . . . . 7.2 111.303 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 67' ' ' LYS . . . . . . . . . . . . . 2.4 tttt -58.14 -51.88 67.88 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.235 -0.439 . . . . 18.94 111.051 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 68' ' ' LYS . . . . . . . . . . . . . 77.2 tttt -58.71 -32.12 68.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.37 -0.377 . . . . 17.55 110.84 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 69' ' ' MET . . . . . 0.413 ' CE ' ' HB3' ' B' ' 62' ' ' GLN . 21.8 ttp -71.37 -49.61 40.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 12.89 110.949 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 70' ' ' VAL . . . . . 0.463 HG13 ' OH ' ' A' ' 78' ' ' TYR . 51.8 t -76.92 -24.46 15.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 15.52 111.032 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -60.6 -52.17 66.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.268 -0.424 . . . . 24.73 110.652 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.17 -40.33 94.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 28.78 110.586 179.677 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 73' ' ' THR . . . . . 0.8 HG23 HD22 ' B' ' 58' ' ' LEU . 62.4 m -55.95 -55.21 35.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 20.83 110.701 179.684 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 74' ' ' LEU . . . . . . . . . . . . . 13.5 mt -58.1 -42.0 84.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.489 . . . . 22.02 110.899 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 75' ' ' LYS . . . . . . . . . . . . . 3.4 ttpt -49.57 -41.29 41.24 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.96 0.41 . . . . 28.86 110.658 179.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 76' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -77.92 -31.43 51.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.999 -0.546 . . . . 31.34 110.549 179.627 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 77' ' ' LEU . . . . . . . . . . . . . 18.6 mt -63.75 -41.43 98.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.921 -0.581 . . . . 30.79 110.832 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 78' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -84.46 -39.41 18.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.112 -0.494 . . . . 33.61 110.778 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 79' ' ' LYS . . . . . 0.442 ' O ' HG23 ' D' ' 82' ' ' THR . 11.3 tttm -52.85 -47.36 67.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 39.29 110.907 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.14 -56.92 7.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 44.25 110.75 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 81' ' ' THR . . . . . . . . . . . . . 45.1 p -71.14 62.11 0.31 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.215 -0.448 . . . . 40.76 111.093 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 82' ' ' THR . . . . . 0.442 HG23 ' O ' ' D' ' 79' ' ' LYS . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.282 -0.866 . . . . 48.1 110.886 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.822 0.344 . . . . 48.11 111.232 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -72.66 91.38 1.44 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 41.81 110.923 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -73.69 -34.78 65.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.295 -0.411 . . . . 42.14 110.787 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.462 ' HB1' ' HB3' ' B' ' 78' ' ' TYR . . . -59.71 -41.36 90.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.278 -0.419 . . . . 35.57 110.794 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -68.04 -54.08 21.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.484 . . . . 30.59 110.578 179.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 46.2 ttp180 -60.94 -41.37 96.1 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.995 -0.548 . . . . 36.85 110.415 179.591 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.429 ' HA ' HD23 ' A' ' 58' ' ' LEU . 15.0 mt -58.95 -50.78 72.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.846 -0.615 . . . . 31.86 110.601 179.667 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.59 -32.87 30.34 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.109 -0.496 . . . . 22.88 110.875 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 30.3 t0 -76.36 -29.74 57.32 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.029 -0.532 . . . . 21.34 110.596 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -73.54 -51.79 15.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.067 -0.515 . . . . 21.35 110.612 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.882 ' HA ' HD12 ' A' ' 65' ' ' LEU . 30.8 mm-40 -54.85 -50.17 69.29 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.937 -0.574 . . . . 20.71 110.579 179.773 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 48.1 p -56.59 -41.59 77.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 18.65 110.525 179.661 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.415 ' O ' ' HG2' ' A' ' 67' ' ' LYS . 4.1 tt0 -60.02 -33.93 72.67 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.063 -0.517 . . . . 24.29 110.546 179.666 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.882 HD12 ' HA ' ' A' ' 62' ' ' GLN . 8.6 mt -68.96 -29.13 67.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.098 -0.501 . . . . 20.4 110.028 179.42 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 58.6 t -80.67 -46.45 21.22 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.283 0 CA-C-N 115.768 -0.651 . . . . 13.39 110.86 179.613 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.432 ' HD2' ' HD2' ' B' ' 67' ' ' LYS . 7.4 ptmt -59.86 -46.05 90.52 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.267 -0.424 . . . . 7.85 110.38 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 16.4 ttpp -61.26 -38.39 86.52 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.061 -0.518 . . . . 16.8 110.317 179.504 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.41 ' CE ' HG21 ' C' ' 73' ' ' THR . 24.7 ttp -64.82 -42.29 95.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.958 -0.565 . . . . 9.21 110.388 179.48 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 70.0 t -70.04 -42.17 79.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.094 -0.503 . . . . 9.15 110.679 179.65 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.418 ' O ' ' CB ' ' A' ' 75' ' ' LYS . 48.5 t80 -52.25 -60.6 3.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 19.77 110.426 179.753 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.17 -45.71 68.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.224 -0.443 . . . . 14.88 110.609 179.719 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 17.6 m -61.75 -71.64 0.14 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.187 -0.461 . . . . 8.6 110.277 179.545 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.641 HD12 ' HB2' ' B' ' 62' ' ' GLN . 19.8 mt -49.68 -36.84 26.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.979 -0.555 . . . . 14.02 111.105 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.418 ' CB ' ' O ' ' A' ' 71' ' ' PHE . 9.2 ttpp -56.25 -68.04 0.25 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.192 0.52 . . . . 18.03 110.029 179.187 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -61.98 -29.27 70.14 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.467 -0.788 . . . . 18.98 111.005 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.703 ' O ' HD12 ' A' ' 77' ' ' LEU . 0.7 OUTLIER -66.36 -54.97 18.3 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.43 -0.35 . . . . 21.11 110.576 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.479 ' CD1' ' CD1' ' D' ' 77' ' ' LEU . 20.9 m-85 -62.68 -21.56 65.82 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.371 -0.377 . . . . 28.42 110.809 179.562 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.61 -31.33 68.26 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.279 -0.419 . . . . 25.49 110.523 179.712 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 4.2 ttmt -66.79 -26.89 67.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.115 -0.493 . . . . 30.85 110.968 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.5 p -82.04 -64.89 1.09 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.322 -0.399 . . . . 34.07 111.063 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 12.8 t . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.244 -0.884 . . . . 40.62 110.988 179.951 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 3.3 mtm180 . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.811 0.339 . . . . 46.16 111.225 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -103.79 21.03 16.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 36.87 111.113 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -63.62 -25.19 68.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.486 -0.324 . . . . 31.78 110.716 179.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' ALA . . . . . 0.476 ' HA ' HD12 ' B' ' 58' ' ' LEU . . . -56.78 -40.79 76.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 28.16 111.181 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -65.66 -49.37 68.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 33.28 110.886 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 6.5 mpt_? -51.16 -30.18 15.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 23.34 110.895 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . 0.829 HD22 HG23 ' D' ' 73' ' ' THR . 13.0 mt -77.37 -65.09 1.0 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 20.42 111.178 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -45.44 -27.67 0.75 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.997 -0.547 . . . . 19.79 111.349 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -71.9 -57.58 4.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 22.71 110.796 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . 0.411 ' HA ' ' HG2' ' B' ' 64' ' ' GLU . 2.3 mm-40 -63.55 -25.54 68.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.316 -0.402 . . . . 14.61 110.795 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . 0.641 ' HB2' HD12 ' A' ' 74' ' ' LEU . 2.5 mm-40 -75.24 -39.0 60.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 9.97 110.904 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 2.8 p -69.04 -53.57 19.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.343 -0.389 . . . . 14.62 110.734 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . 0.411 ' HG2' ' HA ' ' B' ' 61' ' ' GLU . 0.0 OUTLIER -52.33 -35.69 51.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.105 -0.498 . . . . 11.76 110.669 179.688 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.13 -42.91 96.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 8.77 110.799 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . 0.52 HG23 ' O ' ' B' ' 62' ' ' GLN . 60.5 t -63.78 -42.19 95.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.242 -0.435 . . . . 6.69 111.122 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . 0.432 ' HD2' ' HD2' ' A' ' 67' ' ' LYS . 13.0 tttt -54.15 -59.91 4.03 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.985 -0.552 . . . . 5.77 110.902 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 5.9 mttp -52.38 -32.87 40.69 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.206 -0.452 . . . . 13.65 111.074 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 69' ' ' MET . . . . . . . . . . . . . 44.0 ttp -72.76 -51.11 20.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.838 0.351 . . . . 12.22 110.982 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.62 HG13 ' OH ' ' C' ' 78' ' ' TYR . 64.6 t -75.9 -16.95 15.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 12.79 111.518 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.424 ' N ' ' O ' ' B' ' 67' ' ' LYS . 40.6 t80 -68.3 -54.07 20.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.888 0.375 . . . . 17.89 110.732 179.751 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -61.85 -43.37 98.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.082 -0.508 . . . . 26.55 110.809 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 73' ' ' THR . . . . . 0.762 HG23 HD22 ' D' ' 58' ' ' LEU . 52.5 m -53.96 -48.0 70.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 25.34 111.096 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 74' ' ' LEU . . . . . 0.525 ' HA ' HD12 ' B' ' 77' ' ' LEU . 24.6 mt -59.69 -39.6 85.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.467 . . . . 25.16 110.845 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 2.0 tptp -50.87 -46.27 60.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.356 -0.384 . . . . 25.64 110.537 179.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.0 -25.32 60.94 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.904 -0.589 . . . . 27.76 110.675 179.526 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.525 HD12 ' HA ' ' B' ' 74' ' ' LEU . 26.3 mt -72.46 -50.5 25.69 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.029 -0.532 . . . . 28.85 111.143 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 78' ' ' TYR . . . . . 0.462 ' HB3' ' HB1' ' A' ' 55' ' ' ALA . 8.4 m-85 -69.18 -57.53 5.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 31.44 111.497 -179.536 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -46.39 -31.61 2.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.367 -0.379 . . . . 42.43 111.22 -179.748 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 5.2 tptt -63.07 -46.73 86.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 38.94 110.808 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 4.6 p -76.24 59.81 1.42 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.464 . . . . 39.13 111.033 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 7.4 t . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.253 -0.879 . . . . 46.84 110.865 -179.991 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 52' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.83 0.347 . . . . 43.98 111.213 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -72.52 91.32 1.39 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 39.36 110.926 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 54' ' ' ASP . . . . . 0.404 ' O ' ' HG ' ' C' ' 58' ' ' LEU . 4.8 t0 -73.66 -34.67 65.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 36.94 110.775 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 55' ' ' ALA . . . . . 0.575 ' HB1' ' HB3' ' D' ' 78' ' ' TYR . . . -59.9 -41.33 91.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.297 -0.411 . . . . 32.48 110.802 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -67.92 -54.15 20.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 28.42 110.606 179.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 57' ' ' ARG . . . . . . . . . . . . . 46.1 ttp180 -61.0 -41.33 96.31 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.98 -0.555 . . . . 30.29 110.416 179.615 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 58' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' C' ' 58' ' ' LEU . 15.0 mt -59.02 -50.75 72.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.892 -0.594 . . . . 25.35 110.58 179.69 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.59 -32.85 30.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.092 -0.504 . . . . 23.44 110.832 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -76.37 -30.02 57.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 26.61 110.502 179.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -73.29 -51.72 16.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.499 . . . . 27.76 110.622 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 62' ' ' GLN . . . . . 0.85 ' HA ' HD12 ' C' ' 65' ' ' LEU . 31.2 mm-40 -54.82 -50.42 68.61 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.989 -0.551 . . . . 22.66 110.552 179.723 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 63' ' ' SER . . . . . . . . . . . . . 44.6 p -56.35 -41.39 76.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.482 . . . . 16.24 110.555 179.683 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 64' ' ' GLU . . . . . 0.415 ' O ' ' HG2' ' C' ' 67' ' ' LYS . 4.1 tt0 -60.31 -33.78 72.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.087 -0.506 . . . . 21.08 110.485 179.654 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 65' ' ' LEU . . . . . 0.85 HD12 ' HA ' ' C' ' 62' ' ' GLN . 8.5 mt -69.19 -29.03 66.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.078 0.466 . . . . 14.5 110.029 179.423 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 66' ' ' VAL . . . . . . . . . . . . . 58.9 t -80.68 -46.35 21.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.775 -0.648 . . . . 11.01 110.927 179.562 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 67' ' ' LYS . . . . . 0.452 ' HD2' ' CD ' ' D' ' 67' ' ' LYS . 7.6 ptmt -60.0 -45.94 91.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.224 -0.444 . . . . 19.98 110.491 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 68' ' ' LYS . . . . . . . . . . . . . 16.5 ttpp -61.19 -38.37 86.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.03 -0.532 . . . . 16.43 110.239 179.379 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 69' ' ' MET . . . . . . . . . . . . . 24.2 ttp -65.14 -42.07 94.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.994 -0.548 . . . . 6.99 110.414 179.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 61.5 t -70.16 -41.93 79.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.01 -0.541 . . . . 5.55 110.665 179.687 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 71' ' ' PHE . . . . . 0.42 ' O ' ' CB ' ' C' ' 75' ' ' LYS . 48.6 t80 -52.55 -60.8 2.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.246 -0.434 . . . . 8.63 110.387 179.625 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.98 -45.73 67.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 9.08 110.574 179.697 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 73' ' ' THR . . . . . 0.41 HG21 ' CE ' ' A' ' 69' ' ' MET . 17.8 m -61.9 -71.25 0.16 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.21 -0.45 . . . . 14.54 110.323 179.617 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 74' ' ' LEU . . . . . 0.539 HD12 ' HB2' ' D' ' 62' ' ' GLN . 20.9 mt -49.88 -37.13 29.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.094 -0.503 . . . . 18.04 111.086 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 75' ' ' LYS . . . . . 0.42 ' CB ' ' O ' ' C' ' 71' ' ' PHE . 9.2 ttpp -56.07 -68.02 0.24 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.158 0.504 . . . . 18.9 109.975 179.303 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 76' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -61.99 -29.48 70.28 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.493 -0.776 . . . . 14.3 110.994 179.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 77' ' ' LEU . . . . . 0.7 ' O ' HD12 ' C' ' 77' ' ' LEU . 0.7 OUTLIER -66.1 -55.08 18.26 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.48 -0.327 . . . . 19.85 110.541 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 78' ' ' TYR . . . . . 0.62 ' OH ' HG13 ' B' ' 70' ' ' VAL . 20.9 m-85 -62.43 -21.92 65.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.393 -0.367 . . . . 24.24 110.762 179.613 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.37 -31.13 68.25 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.296 -0.411 . . . . 27.62 110.615 179.66 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 4.2 ttmt -67.12 -26.7 66.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 27.78 111.014 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 81' ' ' THR . . . . . . . . . . . . . 2.6 p -82.18 -64.84 1.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.306 -0.407 . . . . 33.31 110.999 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 82' ' ' THR . . . . . . . . . . . . . 12.7 t . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.209 -0.9 . . . . 37.93 110.912 -179.937 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 52' ' ' ARG . . . . . . . . . . . . . 3.2 mtm180 . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.783 0.325 . . . . 45.38 111.243 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -103.58 20.63 17.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 41.2 111.138 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -63.22 -25.42 68.32 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.815 0.34 . . . . 35.37 110.771 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 55' ' ' ALA . . . . . 0.475 ' HA ' HD12 ' D' ' 58' ' ' LEU . . . -56.72 -40.61 75.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 33.7 111.229 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -65.77 -49.26 68.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 31.6 110.929 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 57' ' ' ARG . . . . . . . . . . . . . 6.5 mpt_? -50.98 -30.29 14.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.144 -0.48 . . . . 32.8 110.965 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 58' ' ' LEU . . . . . 0.762 HD22 HG23 ' B' ' 73' ' ' THR . 12.8 mt -77.53 -65.13 1.0 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 19.85 111.076 -179.769 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 59' ' ' ALA . . . . . . . . . . . . . . . -45.29 -27.92 0.73 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.063 -0.517 . . . . 17.68 111.312 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 60' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -71.61 -57.3 4.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.132 -0.486 . . . . 20.86 110.852 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 61' ' ' GLU . . . . . 0.409 ' HA ' ' CG ' ' D' ' 64' ' ' GLU . 2.3 mm-40 -63.94 -25.46 68.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 14.61 110.819 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 62' ' ' GLN . . . . . 0.539 ' HB2' HD12 ' C' ' 74' ' ' LEU . 2.5 mm-40 -75.24 -39.08 60.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.491 . . . . 14.19 110.833 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 63' ' ' SER . . . . . . . . . . . . . 2.6 p -69.07 -53.59 19.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.318 -0.401 . . . . 14.66 110.727 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 64' ' ' GLU . . . . . 0.409 ' CG ' ' HA ' ' D' ' 61' ' ' GLU . 0.0 OUTLIER -52.24 -35.78 50.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 14.05 110.613 179.736 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' D' D ' 65' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.95 -43.46 95.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.058 -0.519 . . . . 6.76 110.802 179.749 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 66' ' ' VAL . . . . . 0.536 HG23 ' O ' ' D' ' 62' ' ' GLN . 60.1 t -63.26 -42.14 95.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.951 0.405 . . . . 7.77 111.179 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 67' ' ' LYS . . . . . 0.452 ' CD ' ' HD2' ' C' ' 67' ' ' LYS . 13.4 tttt -54.12 -60.11 3.76 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.97 -0.559 . . . . 21.04 110.964 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 68' ' ' LYS . . . . . . . . . . . . . 5.9 mttp -52.1 -32.87 37.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.284 -0.416 . . . . 16.51 111.12 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 69' ' ' MET . . . . . . . . . . . . . 43.9 ttp -72.79 -51.26 19.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.372 -0.376 . . . . 12.54 110.97 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 70' ' ' VAL . . . . . 0.46 HG13 ' OH ' ' A' ' 78' ' ' TYR . 61.4 t -75.69 -17.01 15.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 14.65 111.491 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 71' ' ' PHE . . . . . 0.404 ' N ' ' O ' ' D' ' 67' ' ' LYS . 41.3 t80 -68.29 -54.39 17.84 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.896 0.379 . . . . 23.28 110.691 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -61.75 -43.04 99.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 27.49 110.8 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 73' ' ' THR . . . . . 0.829 HG23 HD22 ' B' ' 58' ' ' LEU . 51.9 m -54.25 -47.84 71.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.202 -0.453 . . . . 20.13 110.975 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 74' ' ' LEU . . . . . 0.525 ' HA ' HD12 ' D' ' 77' ' ' LEU . 25.0 mt -59.78 -39.42 84.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 23.61 110.844 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 75' ' ' LYS . . . . . . . . . . . . . 2.0 tptp -51.09 -46.14 61.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.964 0.411 . . . . 30.33 110.586 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 76' ' ' ASP . . . . . 0.4 ' HA ' ' HG2' ' D' ' 79' ' ' LYS . 0.7 OUTLIER -73.11 -25.19 60.77 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.835 -0.62 . . . . 31.34 110.702 179.587 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' D' D ' 77' ' ' LEU . . . . . 0.525 HD12 ' HA ' ' D' ' 74' ' ' LEU . 26.8 mt -72.62 -50.64 23.88 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.06 -0.518 . . . . 30.04 111.169 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 78' ' ' TYR . . . . . 0.575 ' HB3' ' HB1' ' C' ' 55' ' ' ALA . 8.3 m-85 -68.94 -57.55 5.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.104 -0.498 . . . . 33.68 111.37 -179.58 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 79' ' ' LYS . . . . . 0.4 ' HG2' ' HA ' ' D' ' 76' ' ' ASP . 0.1 OUTLIER -46.52 -31.46 2.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.404 -0.362 . . . . 37.95 111.22 -179.666 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' D' D ' 80' ' ' LYS . . . . . . . . . . . . . 5.2 tptt -63.2 -46.76 85.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 43.46 110.784 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 81' ' ' THR . . . . . . . . . . . . . 4.6 p -76.11 59.73 1.37 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.058 -0.519 . . . . 41.04 111.029 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 82' ' ' THR . . . . . . . . . . . . . 7.2 t . . . . . 0 C--O 1.248 0.978 0 CA-C-O 118.302 -0.856 . . . . 49.26 110.908 -180.0 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 17.0 ttt180 . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.849 0.356 . . . . 48.64 111.179 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 59.33 74.48 0.44 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.121 -0.49 . . . . 37.44 110.819 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.41 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 0.5 OUTLIER -58.55 -36.7 74.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 39.73 110.819 179.91 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.41 ' HB1' ' HB3' ' B' ' 78' ' ' TYR . . . -59.22 -40.4 85.73 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.203 -0.453 . . . . 31.22 110.872 179.804 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -67.64 -53.22 29.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.993 0.425 . . . . 27.96 110.45 179.63 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 1.5 ttp180 -59.55 -47.43 85.59 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.88 -0.6 . . . . 28.01 110.349 179.468 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' A' ' 54' ' ' ASP . 15.0 mt -53.68 -49.83 67.16 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.691 -0.686 . . . . 29.62 110.767 179.637 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -52.07 -41.43 62.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 24.76 110.806 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -73.97 -37.18 64.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.002 -0.545 . . . . 26.26 110.665 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -66.79 -44.41 81.35 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.129 -0.487 . . . . 25.57 110.736 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.586 ' HA ' HD12 ' A' ' 65' ' ' LEU . 1.9 mm-40 -68.83 -37.29 79.08 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.061 -0.518 . . . . 19.17 110.494 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 33.2 p -68.43 -35.66 77.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.006 -0.543 . . . . 16.13 110.666 179.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.87 -43.69 98.33 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.241 -0.436 . . . . 18.21 110.657 179.766 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.586 HD12 ' HA ' ' A' ' 62' ' ' GLN . 9.5 mt -57.71 -42.63 84.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.07 -0.513 . . . . 17.4 110.632 179.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 48.9 t -67.45 -47.1 81.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 9.81 110.982 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 53.2 tttt -56.86 -59.98 4.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.439 . . . . 17.36 110.367 179.662 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 4.9 ttmt -54.13 -33.25 57.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 22.35 110.071 179.414 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 7.8 tmm? -66.66 -44.5 81.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.86 -0.609 . . . . 9.07 110.212 179.506 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.43 HG13 ' HG ' ' A' ' 74' ' ' LEU . 66.0 t -68.66 -35.86 71.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.102 -0.499 . . . . 6.41 110.491 179.494 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.487 ' CZ ' ' HD3' ' A' ' 75' ' ' LYS . 64.2 t80 -54.7 -58.71 6.45 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.068 -0.514 . . . . 17.33 110.216 179.614 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -53.27 -49.45 66.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.253 -0.431 . . . . 11.22 110.7 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 17.6 m -60.04 -69.68 0.2 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.269 -0.423 . . . . 11.52 110.3 179.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.511 HD23 HD23 ' A' ' 77' ' ' LEU . 16.6 mt -50.57 -36.37 34.36 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.996 -0.547 . . . . 18.45 111.211 -179.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.487 ' HD3' ' CZ ' ' A' ' 71' ' ' PHE . 7.6 ttpp -55.5 -69.35 0.14 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.094 0.473 . . . . 20.91 110.171 179.534 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.65 -26.73 68.19 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.635 -0.711 . . . . 16.05 110.878 179.801 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.631 ' C ' HD12 ' A' ' 77' ' ' LEU . 0.5 OUTLIER -67.83 -59.72 3.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.311 -0.404 . . . . 19.24 110.582 179.909 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.688 ' OH ' HG13 ' D' ' 70' ' ' VAL . 18.9 m-85 -59.18 -24.0 62.71 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.818 0.342 . . . . 26.15 110.671 179.678 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 7.0 mmtt -68.06 -34.17 75.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 27.34 110.591 179.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 18.9 tttt -69.53 -29.28 66.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.492 . . . . 30.58 110.974 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -64.81 -54.67 27.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 34.44 111.051 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 69.1 p . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.232 -0.89 . . . . 40.37 110.997 -179.866 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.8 0.333 . . . . 42.72 111.284 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -93.67 22.04 5.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.278 -0.419 . . . . 39.66 110.988 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.2 -27.82 69.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.348 -0.387 . . . . 33.27 110.762 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -54.47 -38.13 66.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 32.5 110.97 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.72 -45.32 52.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.042 -0.526 . . . . 30.06 110.792 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -53.8 -36.14 62.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 25.73 110.962 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . 0.914 HD22 HG23 ' D' ' 73' ' ' THR . 17.1 mt -74.2 -58.52 3.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 18.08 110.953 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -42.9 -30.12 0.38 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.063 -0.517 . . . . 19.09 111.117 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 60' ' ' ASP . . . . . 0.474 ' HA ' ' HG ' ' B' ' 63' ' ' SER . 40.1 t0 -85.11 -36.63 21.02 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.876 -0.602 . . . . 23.75 110.831 179.641 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . 0.417 ' N ' ' O ' ' B' ' 58' ' ' LEU . 12.6 tp10 -71.69 -47.94 50.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.053 0.454 . . . . 16.7 110.572 179.693 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . 0.486 ' HB2' ' CD1' ' A' ' 74' ' ' LEU . 2.0 mm-40 -68.95 -35.29 76.59 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.051 -0.522 . . . . 14.99 111.145 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 63' ' ' SER . . . . . 0.474 ' HG ' ' HA ' ' B' ' 60' ' ' ASP . 65.5 p -66.11 -54.94 19.38 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.696 0.284 . . . . 12.59 110.83 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . 0.44 ' HG3' ' N ' ' B' ' 65' ' ' LEU . 0.4 OUTLIER -52.15 -30.01 24.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.95 0.405 . . . . 7.73 110.586 179.703 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . 0.44 ' N ' ' HG3' ' B' ' 64' ' ' GLU . 0.1 OUTLIER -67.26 -37.03 82.82 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.07 -0.514 . . . . 5.36 110.805 179.661 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . 0.529 HG13 ' HE2' ' B' ' 69' ' ' MET . 3.5 t -67.24 -34.38 68.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 6.1 111.113 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 2.7 ttpt -61.18 -62.29 1.95 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.204 -0.453 . . . . 15.65 110.899 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 9.3 ptmt -55.0 -26.65 38.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.881 0.372 . . . . 16.67 110.537 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 69' ' ' MET . . . . . 0.529 ' HE2' HG13 ' B' ' 66' ' ' VAL . 41.4 ttp -73.33 -53.29 11.14 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.154 -0.475 . . . . 13.11 110.793 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.72 HG13 ' OH ' ' C' ' 78' ' ' TYR . 66.4 t -76.65 -21.49 14.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 15.48 111.116 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 25.0 t80 -64.51 -45.15 88.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.93 0.395 . . . . 24.98 110.319 179.605 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -68.28 -41.77 80.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.017 -0.538 . . . . 28.8 110.463 179.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 73' ' ' THR . . . . . 0.884 HG23 HD22 ' D' ' 58' ' ' LEU . 29.0 m -56.85 -53.03 62.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.488 . . . . 22.15 110.759 179.672 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 74' ' ' LEU . . . . . 0.508 ' HA ' HD12 ' B' ' 77' ' ' LEU . 16.1 mt -57.02 -40.38 76.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.126 -0.488 . . . . 21.19 110.693 179.727 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 15.4 ttpp -49.55 -44.72 46.87 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.159 -0.473 . . . . 27.05 110.654 179.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -73.42 -37.93 65.72 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.816 -0.629 . . . . 31.45 110.299 179.536 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.508 HD12 ' HA ' ' B' ' 74' ' ' LEU . 11.3 mt -54.47 -51.44 65.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.005 -0.543 . . . . 30.96 110.514 179.679 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 78' ' ' TYR . . . . . 0.41 ' HB3' ' HB1' ' A' ' 55' ' ' ALA . 48.4 m-85 -73.91 -37.98 64.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.1 -0.5 . . . . 32.42 110.823 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 7.9 ttmm -60.91 -33.09 72.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 40.83 110.76 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.43 -23.44 49.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 40.0 110.871 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 6.5 t -163.41 121.46 1.93 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.279 -0.419 . . . . 40.85 110.834 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.995 0 CA-C-O 118.191 -0.909 . . . . 45.79 110.929 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 52' ' ' ARG . . . . . . . . . . . . . 17.2 ttt180 . . . . . 0 N--CA 1.487 1.401 0 CA-C-O 120.849 0.357 . . . . 46.38 111.192 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 59.57 73.96 0.46 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.496 . . . . 42.08 110.975 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 54' ' ' ASP . . . . . 0.4 ' O ' ' HG ' ' C' ' 58' ' ' LEU . 0.5 OUTLIER -58.12 -37.08 73.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 39.89 110.74 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.88 -40.48 84.51 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.256 -0.429 . . . . 35.52 110.907 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -67.71 -52.8 33.46 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.317 -0.401 . . . . 30.83 110.461 179.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 57' ' ' ARG . . . . . . . . . . . . . 1.5 ttp180 -59.99 -47.17 86.95 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.928 -0.578 . . . . 39.08 110.286 179.527 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 58' ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' C' ' 54' ' ' ASP . 14.8 mt -53.72 -50.06 66.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.683 -0.689 . . . . 26.89 110.766 179.677 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.88 -41.52 61.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.134 -0.485 . . . . 20.54 110.887 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -73.92 -37.09 64.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.093 -0.503 . . . . 19.86 110.757 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -66.87 -44.27 81.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 22.16 110.781 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 62' ' ' GLN . . . . . 0.598 ' HA ' HD12 ' C' ' 65' ' ' LEU . 2.0 mm-40 -68.88 -37.48 79.07 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.058 -0.519 . . . . 24.76 110.515 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 63' ' ' SER . . . . . 0.407 ' HB2' ' HG2' ' D' ' 67' ' ' LYS . 34.4 p -68.29 -35.73 78.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.985 -0.552 . . . . 17.95 110.617 179.797 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.95 -43.48 98.75 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.239 -0.437 . . . . 26.64 110.631 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 65' ' ' LEU . . . . . 0.598 HD12 ' HA ' ' C' ' 62' ' ' GLN . 9.5 mt -57.99 -42.47 85.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.09 -0.504 . . . . 18.1 110.69 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 66' ' ' VAL . . . . . . . . . . . . . 50.1 t -67.47 -47.23 81.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.12 -0.491 . . . . 14.98 110.945 179.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 67' ' ' LYS . . . . . . . . . . . . . 53.5 tttt -56.67 -60.33 3.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.274 -0.421 . . . . 10.58 110.346 179.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 68' ' ' LYS . . . . . . . . . . . . . 4.9 ttmt -53.9 -33.27 56.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 12.56 110.147 179.401 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 69' ' ' MET . . . . . . . . . . . . . 7.6 tmm? -66.55 -44.55 82.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.84 -0.618 . . . . 8.24 110.223 179.535 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 70' ' ' VAL . . . . . 0.436 HG13 ' HG ' ' C' ' 74' ' ' LEU . 71.6 t -68.58 -36.22 73.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.063 -0.517 . . . . 9.26 110.471 179.535 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 71' ' ' PHE . . . . . 0.483 ' CZ ' ' HD3' ' C' ' 75' ' ' LYS . 64.6 t80 -54.14 -58.89 5.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.055 -0.521 . . . . 13.4 110.273 179.621 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -53.1 -49.51 66.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 12.9 110.669 179.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 73' ' ' THR . . . . . . . . . . . . . 17.7 m -60.16 -69.47 0.22 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.311 -0.404 . . . . 11.68 110.37 179.671 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 74' ' ' LEU . . . . . 0.489 HD23 HD23 ' C' ' 77' ' ' LEU . 16.2 mt -50.82 -36.37 37.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.063 -0.517 . . . . 13.51 111.092 -179.784 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 75' ' ' LYS . . . . . 0.483 ' HD3' ' CZ ' ' C' ' 71' ' ' PHE . 7.6 ttpp -55.45 -69.4 0.14 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.093 0.473 . . . . 13.75 110.229 179.497 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 76' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.37 -26.98 68.19 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.692 -0.685 . . . . 17.15 110.923 179.663 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 77' ' ' LEU . . . . . 0.643 HD12 ' C ' ' C' ' 77' ' ' LEU . 0.5 OUTLIER -67.72 -59.89 2.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.304 -0.407 . . . . 21.18 110.615 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 78' ' ' TYR . . . . . 0.72 ' OH ' HG13 ' B' ' 70' ' ' VAL . 19.1 m-85 -59.22 -23.51 62.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.492 -0.322 . . . . 25.28 110.619 179.732 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 6.9 mmtt -68.47 -34.04 75.23 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.307 -0.406 . . . . 28.23 110.65 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 19.0 tttt -69.54 -29.39 66.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.045 -0.525 . . . . 27.83 110.891 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -64.67 -54.8 25.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 33.9 111.089 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 82' ' ' THR . . . . . . . . . . . . . 70.4 p . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.22 -0.895 . . . . 37.1 111.048 179.993 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.815 0.34 . . . . 44.85 111.162 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -93.73 22.13 5.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 38.77 110.945 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.42 -27.78 69.23 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.392 -0.367 . . . . 33.54 110.75 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 55' ' ' ALA . . . . . . . . . . . . . . . -54.55 -38.28 66.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.479 . . . . 30.33 110.853 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.58 -45.2 54.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 32.09 110.786 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 57' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -54.04 -35.87 62.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.485 . . . . 29.16 110.888 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 58' ' ' LEU . . . . . 0.884 HD22 HG23 ' B' ' 73' ' ' THR . 17.6 mt -74.41 -58.59 3.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 22.27 110.904 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 59' ' ' ALA . . . . . . . . . . . . . . . -42.92 -30.02 0.37 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.042 -0.526 . . . . 19.74 111.109 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 60' ' ' ASP . . . . . 0.451 ' HA ' ' HG ' ' D' ' 63' ' ' SER . 40.1 t0 -85.22 -36.56 20.88 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.907 -0.588 . . . . 18.2 110.863 179.658 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 61' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' D' ' 58' ' ' LEU . 12.6 tp10 -71.68 -47.95 50.76 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.185 -0.461 . . . . 11.66 110.581 179.564 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 62' ' ' GLN . . . . . 0.487 ' HB2' ' CD1' ' C' ' 74' ' ' LEU . 1.9 mm-40 -69.03 -35.35 76.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.056 -0.52 . . . . 10.95 111.154 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 63' ' ' SER . . . . . 0.451 ' HG ' ' HA ' ' D' ' 60' ' ' ASP . 65.4 p -65.99 -54.94 19.67 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.712 0.292 . . . . 16.64 110.798 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 64' ' ' GLU . . . . . 0.444 ' HG3' ' N ' ' D' ' 65' ' ' LEU . 0.4 OUTLIER -52.28 -29.87 25.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.871 0.367 . . . . 16.53 110.594 179.695 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' D' D ' 65' ' ' LEU . . . . . 0.444 ' N ' ' HG3' ' D' ' 64' ' ' GLU . 0.1 OUTLIER -67.51 -36.91 81.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.109 -0.496 . . . . 10.04 110.712 179.78 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' D' D ' 66' ' ' VAL . . . . . 0.535 HG13 ' HE2' ' D' ' 69' ' ' MET . 3.6 t -67.33 -34.44 68.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.197 -0.456 . . . . 8.58 111.087 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 67' ' ' LYS . . . . . 0.407 ' HG2' ' HB2' ' C' ' 63' ' ' SER . 2.6 ttpt -61.31 -61.97 2.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 14.7 110.934 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 68' ' ' LYS . . . . . . . . . . . . . 9.2 ptmt -55.21 -26.67 40.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.829 0.347 . . . . 8.46 110.49 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 69' ' ' MET . . . . . 0.535 ' HE2' HG13 ' D' ' 66' ' ' VAL . 41.7 ttp -73.45 -53.15 11.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.068 -0.514 . . . . 10.95 110.774 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 70' ' ' VAL . . . . . 0.688 HG13 ' OH ' ' A' ' 78' ' ' TYR . 67.8 t -76.72 -21.33 14.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 10.75 111.145 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 25.6 t80 -64.87 -44.71 88.79 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.351 -0.386 . . . . 17.99 110.42 179.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -68.54 -41.6 79.65 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.084 -0.507 . . . . 23.51 110.448 179.506 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 73' ' ' THR . . . . . 0.914 HG23 HD22 ' B' ' 58' ' ' LEU . 29.1 m -56.98 -53.14 61.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.09 -0.505 . . . . 23.44 110.629 179.722 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 74' ' ' LEU . . . . . 0.501 ' HA ' HD12 ' D' ' 77' ' ' LEU . 16.4 mt -56.99 -40.47 76.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 27.22 110.57 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 75' ' ' LYS . . . . . . . . . . . . . 15.4 ttpp -49.44 -44.82 45.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 28.87 110.563 179.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 76' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -73.2 -38.14 66.21 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.903 -0.589 . . . . 28.65 110.413 179.466 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 77' ' ' LEU . . . . . 0.501 HD12 ' HA ' ' D' ' 74' ' ' LEU . 11.4 mt -54.39 -51.12 65.84 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.94 -0.573 . . . . 28.73 110.675 179.663 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 78' ' ' TYR . . . . . . . . . . . . . 47.3 m-85 -74.05 -38.2 64.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.052 -0.522 . . . . 34.35 110.777 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 79' ' ' LYS . . . . . . . . . . . . . 8.0 ttmm -60.88 -33.14 72.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.058 -0.519 . . . . 43.2 110.8 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 80' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.33 -23.55 49.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 42.6 110.845 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 81' ' ' THR . . . . . . . . . . . . . 6.6 t -163.31 121.34 1.95 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.236 -0.438 . . . . 41.03 110.92 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 82' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.001 0 CA-C-O 118.34 -0.838 . . . . 46.41 110.844 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 11.9 ptm180 . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.817 0.341 . . . . 44.95 111.217 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 48.8 t-20 -137.77 63.91 1.53 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.473 . . . . 40.87 110.902 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.405 ' O ' ' HB2' ' A' ' 58' ' ' LEU . 1.1 m-20 -61.58 -26.77 68.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.457 . . . . 39.57 110.988 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.422 ' HB1' ' CB ' ' B' ' 78' ' ' TYR . . . -55.14 -35.92 65.22 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.45 -0.341 . . . . 34.94 111.121 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -64.86 -56.61 12.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 30.09 110.89 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.454 ' HG3' ' N ' ' A' ' 58' ' ' LEU . 3.4 ptt180 -66.89 -48.37 68.92 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.92 -0.582 . . . . 39.32 110.444 179.812 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.48 ' O ' HD23 ' A' ' 58' ' ' LEU . 0.3 OUTLIER -51.38 -43.82 62.0 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.738 -0.665 . . . . 27.43 110.396 179.344 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.19 -40.67 82.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.014 -0.539 . . . . 21.15 111.009 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -55.29 -40.2 70.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.039 -0.528 . . . . 18.62 110.836 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.74 -58.53 7.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 20.52 110.838 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.679 ' HA ' HD12 ' A' ' 65' ' ' LEU . 6.2 mp0 -51.0 -52.68 40.41 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.99 -0.55 . . . . 24.16 110.761 179.82 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 96.7 p -55.25 -30.4 59.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.121 -0.491 . . . . 18.4 110.834 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 54.8 tt0 -67.78 -50.46 56.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 26.32 110.764 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.679 HD12 ' HA ' ' A' ' 62' ' ' GLN . 3.7 mt -53.47 -39.54 64.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 19.31 110.719 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 59.1 t -69.05 -44.25 81.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.068 -0.515 . . . . 15.24 110.921 179.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.403 ' HG3' ' HB3' ' B' ' 63' ' ' SER . 19.0 tttt -61.0 -51.28 69.89 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.052 -0.522 . . . . 8.86 110.629 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.2 ttpt -56.63 -29.41 62.18 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.195 -0.457 . . . . 14.09 110.389 179.588 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 50.2 ttp -70.0 -42.41 73.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.988 -0.551 . . . . 8.3 110.596 179.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 59.6 t -70.12 -42.87 79.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.082 -0.508 . . . . 9.35 110.763 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.407 ' O ' ' HB2' ' A' ' 75' ' ' LYS . 46.3 t80 -50.61 -61.6 2.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.462 -0.335 . . . . 15.36 110.514 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -50.72 -45.14 58.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.351 -0.386 . . . . 14.26 110.517 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.1 m -62.3 -72.44 0.13 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.035 -0.529 . . . . 10.51 110.219 179.494 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.787 HD12 ' HB2' ' B' ' 62' ' ' GLN . 12.7 mt -49.53 -34.29 16.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.102 -0.499 . . . . 13.06 111.078 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.407 ' HB2' ' O ' ' A' ' 71' ' ' PHE . 2.3 ttpt -54.18 -67.6 0.25 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.104 -0.498 . . . . 14.95 110.301 179.697 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -64.71 -31.17 72.27 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.739 -0.664 . . . . 18.31 111.089 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.649 ' O ' HD12 ' A' ' 77' ' ' LEU . 0.9 OUTLIER -65.07 -57.53 8.39 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.348 -0.387 . . . . 21.59 110.824 -179.854 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.491 ' OH ' HD13 ' A' ' 74' ' ' LEU . 22.1 m-30 -61.23 -22.78 65.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.373 -0.376 . . . . 26.35 110.929 179.735 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -71.48 -32.39 68.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.374 -0.375 . . . . 24.46 110.588 179.793 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.4 -39.69 85.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 29.51 110.85 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -56.4 -81.21 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.18 -0.464 . . . . 33.94 110.877 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 5.4 t . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.245 -0.884 . . . . 38.99 110.888 179.984 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 30.4 mmt180 . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.864 0.364 . . . . 43.38 111.173 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -123.13 20.78 9.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.151 -0.477 . . . . 38.31 111.061 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.85 -28.53 66.17 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.354 -0.385 . . . . 33.12 110.662 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.1 -45.08 83.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.089 -0.505 . . . . 29.59 110.892 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -64.68 -56.07 16.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.015 -0.539 . . . . 34.22 110.691 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 28.8 mtt-85 -52.01 -28.62 17.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 26.57 110.478 179.672 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . 0.461 HD22 HG23 ' D' ' 73' ' ' THR . 14.9 mt -71.05 -60.05 2.45 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.976 -0.556 . . . . 22.47 110.621 179.707 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -49.29 -38.05 26.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.904 -0.589 . . . . 20.16 110.901 179.624 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -59.09 -45.19 91.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.071 -0.513 . . . . 19.68 110.451 179.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -62.02 -40.83 97.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.091 -0.504 . . . . 12.2 110.446 179.602 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . 0.831 ' O ' HG23 ' B' ' 66' ' ' VAL . 2.4 mm-40 -66.39 -46.3 77.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.026 -0.534 . . . . 10.83 110.505 179.629 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 63' ' ' SER . . . . . 0.403 ' HB3' ' HG3' ' A' ' 67' ' ' LYS . 1.4 m -55.7 -65.02 0.67 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.015 -0.539 . . . . 16.6 110.805 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . 0.43 ' HG3' ' N ' ' B' ' 65' ' ' LEU . 1.3 pt-20 -49.43 -30.52 8.11 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.253 -0.431 . . . . 16.04 110.861 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . 0.43 ' N ' ' HG3' ' B' ' 64' ' ' GLU . 0.2 OUTLIER -72.19 -42.79 65.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 10.26 110.546 179.717 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . 0.831 HG23 ' O ' ' B' ' 62' ' ' GLN . 19.0 t -63.79 -34.28 67.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.123 -0.49 . . . . 8.06 110.991 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 12.6 ttpt -64.11 -51.81 62.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 11.36 110.802 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.7 -32.03 68.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.284 -0.416 . . . . 9.15 110.706 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 69' ' ' MET . . . . . 0.417 ' CE ' ' HB3' ' D' ' 62' ' ' GLN . 29.2 ttp -71.5 -50.59 29.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 11.07 110.79 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 93.0 t -75.59 -23.18 16.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.098 -0.501 . . . . 10.71 111.06 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -63.47 -44.19 95.16 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.294 -0.412 . . . . 17.78 110.668 179.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 43.6 t0 -69.94 -41.14 74.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 23.39 110.683 179.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 73' ' ' THR . . . . . 0.469 HG21 ' CZ ' ' C' ' 78' ' ' TYR . 99.4 m -54.6 -59.08 5.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 24.42 110.836 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 74' ' ' LEU . . . . . 0.64 HD23 HD12 ' B' ' 77' ' ' LEU . 72.8 mt -50.6 -38.44 45.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 27.06 110.805 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 44.9 tttm -52.93 -51.81 60.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.032 0.444 . . . . 28.93 110.628 179.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -68.49 -32.4 72.35 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.858 -0.61 . . . . 28.23 110.672 179.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.64 HD12 HD23 ' B' ' 74' ' ' LEU . 20.7 mt -61.74 -44.99 95.83 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.054 -0.521 . . . . 28.77 110.579 179.795 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 78' ' ' TYR . . . . . 0.422 ' CB ' ' HB1' ' A' ' 55' ' ' ALA . 4.5 m-85 -84.12 -27.33 28.25 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.006 -0.543 . . . . 34.06 110.747 179.814 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -53.52 -26.52 21.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.058 -0.519 . . . . 43.3 110.738 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 2.4 mttt -58.03 -58.06 10.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 42.66 110.742 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -68.37 63.4 0.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.091 -0.504 . . . . 42.54 110.907 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 9.1 t . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.21 -0.9 . . . . 50.41 110.882 179.978 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 52' ' ' ARG . . . . . . . . . . . . . 11.9 ptm180 . . . . . 0 N--CA 1.487 1.421 0 CA-C-O 120.848 0.356 . . . . 46.64 111.33 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 53' ' ' ASN . . . . . . . . . . . . . 48.8 t-20 -137.89 64.12 1.52 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.074 -0.512 . . . . 35.97 110.886 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.69 -26.86 68.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.105 -0.498 . . . . 37.57 111.011 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.06 -35.88 64.98 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.843 0.354 . . . . 30.08 111.141 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -64.97 -56.44 13.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 27.08 110.949 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 57' ' ' ARG . . . . . 0.447 ' HG3' ' N ' ' C' ' 58' ' ' LEU . 3.4 ptt180 -67.12 -48.16 68.94 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.954 -0.566 . . . . 27.35 110.362 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 58' ' ' LEU . . . . . 0.476 ' O ' HD23 ' C' ' 58' ' ' LEU . 0.3 OUTLIER -51.53 -43.72 62.39 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.748 -0.66 . . . . 27.52 110.396 179.417 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.35 -40.67 82.8 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.998 -0.546 . . . . 24.83 110.975 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -55.15 -40.21 70.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.108 -0.497 . . . . 26.92 110.9 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.59 -58.71 7.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 28.15 110.893 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 62' ' ' GLN . . . . . 0.667 ' HA ' HD12 ' C' ' 65' ' ' LEU . 6.2 mp0 -50.96 -52.59 40.98 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.951 -0.568 . . . . 19.97 110.755 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 63' ' ' SER . . . . . . . . . . . . . 98.6 p -55.24 -30.57 60.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.081 -0.509 . . . . 16.07 110.762 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 54.6 tt0 -67.72 -50.28 58.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 18.59 110.816 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 65' ' ' LEU . . . . . 0.667 HD12 ' HA ' ' C' ' 62' ' ' GLN . 3.7 mt -53.61 -39.7 65.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 16.5 110.637 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 66' ' ' VAL . . . . . . . . . . . . . 55.1 t -69.09 -44.01 81.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 10.1 110.951 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 67' ' ' LYS . . . . . 0.435 ' HG3' ' HB3' ' D' ' 63' ' ' SER . 18.9 tttt -61.14 -51.17 70.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.996 -0.547 . . . . 18.83 110.561 179.83 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 68' ' ' LYS . . . . . . . . . . . . . 1.2 ttpt -56.73 -29.55 62.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.291 -0.413 . . . . 21.74 110.371 179.627 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 69' ' ' MET . . . . . . . . . . . . . 50.6 ttp -69.76 -42.5 73.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.958 -0.565 . . . . 8.21 110.646 179.674 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 63.5 t -70.09 -42.99 79.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.139 -0.482 . . . . 4.91 110.762 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 71' ' ' PHE . . . . . 0.406 ' O ' ' HB2' ' C' ' 75' ' ' LYS . 46.6 t80 -50.47 -61.44 2.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.462 -0.336 . . . . 14.68 110.604 179.833 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -50.84 -45.08 59.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.346 -0.388 . . . . 7.24 110.529 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 73' ' ' THR . . . . . . . . . . . . . 18.1 m -62.32 -72.46 0.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.067 -0.515 . . . . 12.93 110.314 179.465 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 74' ' ' LEU . . . . . 0.779 HD12 ' HB2' ' D' ' 62' ' ' GLN . 13.2 mt -49.7 -34.14 17.9 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.154 -0.475 . . . . 18.91 111.006 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 75' ' ' LYS . . . . . 0.406 ' HB2' ' O ' ' C' ' 71' ' ' PHE . 2.3 ttpt -54.18 -67.58 0.25 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.19 -0.459 . . . . 19.25 110.283 179.632 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 76' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -64.78 -31.18 72.29 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.736 -0.666 . . . . 15.45 111.072 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 77' ' ' LEU . . . . . 0.635 ' O ' HD12 ' C' ' 77' ' ' LEU . 0.9 OUTLIER -65.15 -57.32 8.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.355 -0.384 . . . . 19.51 110.804 -179.832 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 78' ' ' TYR . . . . . 0.507 ' OH ' HD13 ' C' ' 74' ' ' LEU . 22.1 m-30 -61.33 -22.87 65.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.361 -0.381 . . . . 25.89 110.902 179.704 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -71.54 -32.02 67.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.388 -0.369 . . . . 27.31 110.601 179.829 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.55 -39.95 84.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.276 -0.42 . . . . 30.33 110.834 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 81' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -56.22 -81.2 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.067 -0.515 . . . . 34.19 110.939 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 82' ' ' THR . . . . . . . . . . . . . 5.4 t . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.216 -0.897 . . . . 40.16 110.924 179.923 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 52' ' ' ARG . . . . . . . . . . . . . 30.6 mmt180 . . . . . 0 N--CA 1.487 1.398 0 CA-C-O 120.843 0.354 . . . . 43.42 111.166 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 53' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -123.18 20.61 9.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 40.51 111.037 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.67 -28.62 65.9 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.372 -0.376 . . . . 34.31 110.662 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.09 -45.0 83.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.065 -0.516 . . . . 33.38 110.895 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -64.83 -56.1 15.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.016 -0.538 . . . . 31.95 110.635 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 57' ' ' ARG . . . . . . . . . . . . . 29.7 mtt-85 -51.96 -28.72 17.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 26.11 110.489 179.66 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 58' ' ' LEU . . . . . 0.419 HD22 HG23 ' B' ' 73' ' ' THR . 14.8 mt -70.96 -59.93 2.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.944 -0.571 . . . . 18.83 110.555 179.683 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 59' ' ' ALA . . . . . . . . . . . . . . . -49.47 -37.95 28.09 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.873 -0.603 . . . . 18.13 110.889 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 60' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -59.21 -45.04 92.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.045 -0.525 . . . . 23.21 110.58 179.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 61' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -62.1 -40.98 97.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.064 -0.516 . . . . 16.49 110.451 179.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 62' ' ' GLN . . . . . 0.839 ' O ' HG23 ' D' ' 66' ' ' VAL . 2.6 mm-40 -66.22 -46.4 77.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.95 -0.568 . . . . 15.14 110.512 179.647 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 63' ' ' SER . . . . . 0.435 ' HB3' ' HG3' ' C' ' 67' ' ' LYS . 1.4 m -55.69 -64.7 0.77 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.949 -0.569 . . . . 13.75 110.885 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 64' ' ' GLU . . . . . 0.434 ' HG3' ' N ' ' D' ' 65' ' ' LEU . 1.3 pt-20 -49.61 -30.67 9.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.285 -0.416 . . . . 10.31 110.712 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 65' ' ' LEU . . . . . 0.434 ' N ' ' HG3' ' D' ' 64' ' ' GLU . 0.2 OUTLIER -71.93 -42.7 66.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.118 -0.492 . . . . 5.27 110.533 179.688 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' D' D ' 66' ' ' VAL . . . . . 0.839 HG23 ' O ' ' D' ' 62' ' ' GLN . 18.9 t -63.88 -34.21 66.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 7.06 111.049 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 67' ' ' LYS . . . . . . . . . . . . . 12.6 ttpt -64.29 -51.69 62.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.098 -0.501 . . . . 18.59 110.806 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.85 -31.97 69.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.424 . . . . 18.56 110.805 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 69' ' ' MET . . . . . 0.436 ' CE ' ' HB3' ' B' ' 62' ' ' GLN . 30.1 ttp -71.65 -50.36 31.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.059 -0.519 . . . . 12.83 110.795 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 70' ' ' VAL . . . . . . . . . . . . . 91.8 t -75.77 -23.23 16.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.054 -0.521 . . . . 15.35 111.044 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -63.42 -44.15 95.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.313 -0.403 . . . . 24.86 110.635 179.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 43.9 t0 -69.94 -40.95 75.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.106 -0.497 . . . . 28.14 110.751 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 73' ' ' THR . . . . . 0.472 HG21 ' CZ ' ' A' ' 78' ' ' TYR . 99.4 m -54.86 -59.14 5.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.131 -0.486 . . . . 21.03 110.799 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 74' ' ' LEU . . . . . 0.65 HD23 HD12 ' D' ' 77' ' ' LEU . 72.7 mt -50.27 -38.78 42.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.434 . . . . 21.29 110.786 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 75' ' ' LYS . . . . . . . . . . . . . 44.9 tttm -52.64 -51.98 57.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 27.86 110.652 179.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 76' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -68.5 -32.33 72.23 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.876 -0.602 . . . . 31.22 110.605 179.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 77' ' ' LEU . . . . . 0.65 HD12 HD23 ' D' ' 74' ' ' LEU . 20.3 mt -61.77 -44.79 96.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 30.8 110.581 179.743 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 78' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -84.45 -27.16 27.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.036 -0.529 . . . . 33.12 110.647 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 79' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -53.62 -26.55 22.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 39.17 110.794 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 80' ' ' LYS . . . . . 0.411 ' O ' ' N ' ' D' ' 82' ' ' THR . 2.4 mttt -57.89 -58.13 9.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 41.68 110.729 179.798 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 81' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -68.37 63.34 0.1 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.087 -0.506 . . . . 42.49 110.953 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 82' ' ' THR . . . . . 0.411 ' N ' ' O ' ' D' ' 80' ' ' LYS . 9.3 t . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.268 -0.872 . . . . 49.52 110.881 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 27.8 ptt180 . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.764 0.316 . . . . 49.03 111.247 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -144.06 79.35 1.61 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.302 -0.408 . . . . 37.78 110.897 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.402 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 42.6 m-20 -66.13 -26.48 67.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 40.33 110.908 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.769 ' HB1' ' HB3' ' B' ' 78' ' ' TYR . . . -60.04 -35.73 75.75 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.371 -0.377 . . . . 31.69 110.799 179.807 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -70.66 -55.29 9.07 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.193 -0.458 . . . . 29.15 110.446 179.674 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.09 -42.78 99.14 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.912 -0.585 . . . . 28.55 110.339 179.574 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.47 ' HA ' HD23 ' A' ' 58' ' ' LEU . 16.2 mt -57.79 -50.13 74.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.767 -0.651 . . . . 30.42 110.762 179.648 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -49.99 -36.11 27.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.235 -0.439 . . . . 25.12 110.876 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -71.37 -32.03 68.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.129 -0.487 . . . . 25.55 110.518 179.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -72.54 -42.68 64.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.076 -0.511 . . . . 26.97 110.503 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.729 ' HA ' HD12 ' A' ' 65' ' ' LEU . 42.5 mm-40 -62.64 -49.23 76.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.917 -0.583 . . . . 19.0 110.507 179.725 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.0 m -58.93 -35.14 72.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.104 -0.498 . . . . 16.14 110.512 179.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.6 -47.83 84.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.043 -0.526 . . . . 18.31 110.511 179.691 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.729 HD12 ' HA ' ' A' ' 62' ' ' GLN . 2.8 mt -57.82 -39.69 78.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 18.11 110.382 179.736 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.448 ' O ' HG23 ' A' ' 70' ' ' VAL . 55.7 t -71.52 -51.58 32.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.048 -0.524 . . . . 10.02 110.839 179.639 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 6.9 tttt -57.23 -46.07 83.32 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.176 -0.465 . . . . 16.92 110.406 179.587 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 15.0 ttmt -65.32 -39.5 92.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 22.19 110.207 179.465 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 5.4 tmm? -64.06 -37.43 87.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.841 -0.618 . . . . 9.34 110.265 179.488 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.45 HG13 ' HG ' ' A' ' 74' ' ' LEU . 75.7 t -72.78 -38.01 56.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.006 -0.543 . . . . 6.81 110.765 179.76 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.51 ' CE1' ' HD3' ' A' ' 75' ' ' LYS . 10.3 t80 -54.73 -56.85 14.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.461 -0.336 . . . . 18.08 110.518 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -53.81 -45.3 70.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.259 -0.428 . . . . 12.14 110.558 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.3 m -65.52 -67.4 0.44 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 11.11 110.279 179.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.471 ' HB3' ' CE2' ' A' ' 78' ' ' TYR . 12.2 mt -50.69 -36.97 38.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.309 -0.405 . . . . 18.26 110.826 179.842 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.51 ' HD3' ' CE1' ' A' ' 71' ' ' PHE . 3.9 ttpp -54.31 -69.29 0.13 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.128 -0.487 . . . . 21.35 110.115 179.41 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -62.07 -32.45 72.98 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.626 -0.715 . . . . 16.69 110.952 179.719 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.748 ' O ' HD12 ' A' ' 77' ' ' LEU . 0.7 OUTLIER -61.81 -52.5 63.93 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.433 -0.349 . . . . 19.39 110.451 179.867 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.515 ' CD1' HD11 ' D' ' 77' ' ' LEU . 20.6 m-85 -65.59 -19.84 66.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.302 -0.408 . . . . 26.34 110.751 179.434 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 5.7 ttmm -74.64 -27.63 60.52 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.259 -0.428 . . . . 27.31 110.614 179.556 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.48 -28.47 63.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 30.86 110.914 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.48 -79.89 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 34.24 110.951 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.657 ' HA ' HG21 ' D' ' 81' ' ' THR . 52.9 p . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.182 -0.913 . . . . 41.24 111.05 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 8.6 mtt180 . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.781 0.324 . . . . 46.89 111.223 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -148.35 -179.17 6.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 39.86 110.955 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -50.62 -39.36 50.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.067 -0.515 . . . . 32.98 110.837 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -54.7 -29.31 52.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.092 -0.503 . . . . 31.99 111.027 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -73.8 -54.36 8.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 29.15 110.907 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 5.7 mtm-85 -53.24 -43.23 67.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 22.31 110.868 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . 0.898 HD22 HG23 ' D' ' 73' ' ' THR . 81.8 mt -59.34 -59.56 5.26 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.129 -0.487 . . . . 17.87 110.734 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -49.02 -30.88 6.66 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.998 -0.546 . . . . 18.74 111.022 179.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 39.7 t0 -71.76 -62.23 1.49 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 23.08 110.712 179.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -57.41 -37.57 72.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 17.04 110.557 179.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . 0.447 ' O ' HG23 ' B' ' 66' ' ' VAL . 0.1 OUTLIER -71.14 -41.98 69.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.025 -0.534 . . . . 14.92 110.686 179.731 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 81.2 p -68.66 -56.33 8.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.235 -0.439 . . . . 12.69 110.773 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -49.96 -30.76 11.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.299 -0.41 . . . . 7.71 110.597 179.602 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.75 -44.22 86.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.972 -0.558 . . . . 5.66 110.58 179.629 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . 0.447 HG23 ' O ' ' B' ' 62' ' ' GLN . 13.3 t -60.93 -33.05 54.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.017 -0.538 . . . . 5.95 110.881 179.751 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 4.9 ttmt -61.75 -62.83 1.52 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.044 -0.525 . . . . 15.54 110.667 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 18.1 mttt -55.35 -27.12 45.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.22 -0.445 . . . . 18.38 110.481 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 69' ' ' MET . . . . . . . . . . . . . 29.4 ttp -74.88 -52.42 11.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 12.91 110.649 179.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.433 HG23 ' O ' ' B' ' 66' ' ' VAL . 59.9 t -73.57 -22.91 19.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.09 -0.504 . . . . 15.2 110.899 179.722 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -66.14 -45.34 81.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.329 -0.396 . . . . 24.78 110.376 179.582 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -63.78 -41.62 97.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.086 -0.506 . . . . 28.24 110.497 179.6 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 73' ' ' THR . . . . . 0.906 HG23 HD22 ' D' ' 58' ' ' LEU . 74.1 m -60.62 -57.31 13.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.112 -0.495 . . . . 22.26 110.839 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 74' ' ' LEU . . . . . 0.607 ' HA ' HD12 ' B' ' 77' ' ' LEU . 30.4 mt -51.15 -42.85 61.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.262 -0.426 . . . . 20.79 110.745 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 19.2 tttt -50.99 -42.17 60.05 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.271 -0.422 . . . . 26.3 110.559 179.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 76' ' ' ASP . . . . . 0.403 ' N ' ' OD1' ' B' ' 76' ' ' ASP . 0.7 OUTLIER -78.04 -30.37 49.84 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.98 -0.554 . . . . 29.74 110.548 179.554 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.612 HD11 ' CD1' ' C' ' 78' ' ' TYR . 43.8 mt -64.02 -46.58 83.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.913 -0.585 . . . . 30.2 110.47 179.696 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 78' ' ' TYR . . . . . 0.769 ' HB3' ' HB1' ' A' ' 55' ' ' ALA . 5.6 m-85 -79.19 -39.39 33.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.987 -0.551 . . . . 31.55 110.611 179.756 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 79' ' ' LYS . . . . . 0.533 ' O ' HG22 ' B' ' 82' ' ' THR . 3.8 ttmm -61.38 -29.23 69.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.103 -0.499 . . . . 40.25 110.743 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.24 -71.01 0.36 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.489 . . . . 39.11 110.87 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . 0.642 HG21 ' HA ' ' C' ' 82' ' ' THR . 4.3 t -73.67 68.66 1.24 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.269 -0.423 . . . . 39.06 110.936 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.533 HG22 ' O ' ' B' ' 79' ' ' LYS . 8.9 t . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.221 -0.895 . . . . 45.23 110.933 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 52' ' ' ARG . . . . . . . . . . . . . 27.7 ptt180 . . . . . 0 N--CA 1.487 1.411 0 CA-C-O 120.8 0.333 . . . . 46.14 111.21 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 53' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -144.15 79.42 1.61 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 41.55 110.841 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 43.0 m-20 -66.11 -26.72 67.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 38.74 110.852 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 55' ' ' ALA . . . . . 0.736 ' HB1' ' HB3' ' D' ' 78' ' ' TYR . . . -59.77 -36.04 75.86 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.909 0.385 . . . . 35.14 110.907 179.785 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -70.35 -55.37 9.29 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.125 -0.488 . . . . 30.47 110.497 179.665 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.06 -42.82 99.21 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.861 -0.609 . . . . 37.6 110.358 179.553 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 58' ' ' LEU . . . . . 0.474 HD23 ' HA ' ' C' ' 58' ' ' LEU . 16.0 mt -57.84 -49.98 74.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.733 -0.667 . . . . 26.51 110.701 179.717 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -50.23 -36.01 29.14 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.163 -0.471 . . . . 20.55 110.886 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -71.32 -32.11 68.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 20.18 110.497 179.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -72.33 -42.65 65.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.071 -0.513 . . . . 22.29 110.584 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 62' ' ' GLN . . . . . 0.728 ' HA ' HD12 ' C' ' 65' ' ' LEU . 42.7 mm-40 -62.7 -49.23 75.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.958 -0.565 . . . . 24.77 110.516 179.768 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 63' ' ' SER . . . . . . . . . . . . . 4.1 m -58.84 -35.2 72.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.104 -0.498 . . . . 16.79 110.486 179.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.62 -47.93 83.67 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.082 -0.508 . . . . 25.31 110.593 179.687 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 65' ' ' LEU . . . . . 0.728 HD12 ' HA ' ' C' ' 62' ' ' GLN . 2.9 mt -57.49 -39.98 77.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.119 -0.491 . . . . 17.61 110.384 179.597 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 66' ' ' VAL . . . . . 0.453 ' O ' HG23 ' C' ' 70' ' ' VAL . 55.5 t -71.24 -51.67 32.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.013 -0.54 . . . . 14.9 110.857 179.678 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 67' ' ' LYS . . . . . . . . . . . . . 6.8 tttt -57.32 -45.93 83.75 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.101 -0.5 . . . . 11.32 110.492 179.588 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 68' ' ' LYS . . . . . . . . . . . . . 15.0 ttmt -65.41 -39.66 92.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 12.28 110.116 179.467 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 69' ' ' MET . . . . . . . . . . . . . 5.4 tmm? -63.85 -37.57 87.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.867 -0.606 . . . . 8.23 110.325 179.47 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 70' ' ' VAL . . . . . 0.453 HG23 ' O ' ' C' ' 66' ' ' VAL . 76.1 t -72.67 -38.17 57.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.012 -0.54 . . . . 9.03 110.751 179.74 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 71' ' ' PHE . . . . . 0.517 ' CE1' ' HD3' ' C' ' 75' ' ' LYS . 10.1 t80 -54.53 -56.91 13.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.485 -0.325 . . . . 11.77 110.438 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -53.74 -45.17 70.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.265 -0.425 . . . . 11.94 110.624 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 73' ' ' THR . . . . . . . . . . . . . 18.9 m -65.63 -67.14 0.46 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 12.23 110.419 179.58 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 74' ' ' LEU . . . . . 0.485 ' HB3' ' CE2' ' C' ' 78' ' ' TYR . 12.5 mt -51.16 -36.57 41.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.276 -0.42 . . . . 13.9 110.796 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 75' ' ' LYS . . . . . 0.517 ' HD3' ' CE1' ' C' ' 71' ' ' PHE . 3.9 ttpp -54.48 -69.19 0.13 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.128 0.49 . . . . 13.53 110.203 179.249 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 76' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -62.2 -32.28 72.9 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.646 -0.706 . . . . 16.94 110.936 179.675 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 77' ' ' LEU . . . . . 0.741 ' O ' HD12 ' C' ' 77' ' ' LEU . 0.7 OUTLIER -62.0 -52.56 63.5 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.452 -0.34 . . . . 21.06 110.376 179.905 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 78' ' ' TYR . . . . . 0.612 ' CD1' HD11 ' B' ' 77' ' ' LEU . 20.7 m-85 -65.59 -19.78 66.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.324 -0.398 . . . . 24.45 110.691 179.511 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 5.8 ttmm -74.65 -27.49 60.45 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.319 -0.4 . . . . 26.93 110.621 179.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.65 -28.38 63.72 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.196 -0.457 . . . . 27.36 110.929 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.51 -79.82 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.086 -0.506 . . . . 33.63 110.923 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 82' ' ' THR . . . . . 0.642 ' HA ' HG21 ' B' ' 81' ' ' THR . 52.4 p . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.241 -0.885 . . . . 37.68 110.925 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 52' ' ' ARG . . . . . . . . . . . . . 8.6 mtt180 . . . . . 0 N--CA 1.485 1.307 0 CA-C-O 120.82 0.343 . . . . 46.99 111.201 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 53' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -148.33 -179.26 6.81 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.255 -0.429 . . . . 39.7 110.978 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -50.57 -39.18 48.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.427 . . . . 35.65 110.953 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 55' ' ' ALA . . . . . . . . . . . . . . . -54.97 -29.16 56.25 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.064 -0.517 . . . . 30.7 111.013 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -73.8 -54.42 8.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.473 . . . . 30.84 110.866 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 57' ' ' ARG . . . . . . . . . . . . . 5.7 mtm-85 -53.18 -43.2 66.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 27.19 110.907 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 58' ' ' LEU . . . . . 0.906 HD22 HG23 ' B' ' 73' ' ' THR . 81.4 mt -59.47 -59.23 5.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.085 -0.507 . . . . 22.07 110.751 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 59' ' ' ALA . . . . . . . . . . . . . . . -49.27 -30.88 7.9 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.967 -0.56 . . . . 19.3 110.987 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 60' ' ' ASP . . . . . . . . . . . . . 39.7 t0 -71.86 -62.29 1.47 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.083 -0.508 . . . . 16.85 110.738 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 61' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -57.24 -37.73 72.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 11.04 110.555 179.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 62' ' ' GLN . . . . . 0.453 ' HB3' ' CD1' ' C' ' 74' ' ' LEU . 0.0 OUTLIER -71.05 -42.01 70.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.004 -0.544 . . . . 11.06 110.764 179.676 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' D' D ' 63' ' ' SER . . . . . . . . . . . . . 80.8 p -68.64 -56.19 9.02 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.204 -0.453 . . . . 16.62 110.722 179.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 64' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -50.06 -30.69 11.35 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.966 0.413 . . . . 15.38 110.584 179.687 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.9 -44.11 86.25 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.937 -0.574 . . . . 9.73 110.552 179.731 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 66' ' ' VAL . . . . . 0.443 HG23 ' O ' ' D' ' 62' ' ' GLN . 13.7 t -61.01 -33.36 55.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.12 -0.491 . . . . 8.75 110.918 179.724 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 67' ' ' LYS . . . . . . . . . . . . . 4.8 ttmt -61.36 -62.88 1.52 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 14.63 110.66 179.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 68' ' ' LYS . . . . . . . . . . . . . 18.0 mttt -55.2 -27.2 44.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 8.0 110.548 179.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 69' ' ' MET . . . . . 0.438 ' HE2' ' HB3' ' D' ' 69' ' ' MET . 29.2 ttp -74.93 -52.37 11.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.028 -0.533 . . . . 10.89 110.554 179.724 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 70' ' ' VAL . . . . . 0.434 HG23 ' O ' ' D' ' 66' ' ' VAL . 58.1 t -73.48 -23.06 19.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 10.93 110.907 179.789 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -66.0 -45.62 80.89 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.967 0.413 . . . . 18.23 110.466 179.557 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -63.62 -41.53 98.27 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.991 -0.55 . . . . 23.99 110.484 179.67 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 73' ' ' THR . . . . . 0.898 HG23 HD22 ' B' ' 58' ' ' LEU . 68.0 m -60.68 -57.62 11.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.1 -0.5 . . . . 23.14 110.815 179.8 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 74' ' ' LEU . . . . . 0.61 ' HA ' HD12 ' D' ' 77' ' ' LEU . 30.4 mt -50.74 -42.97 58.05 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.217 -0.447 . . . . 27.17 110.759 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 75' ' ' LYS . . . . . . . . . . . . . 19.2 tttt -50.93 -42.35 59.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 29.69 110.567 179.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 76' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -77.94 -30.49 50.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.007 -0.542 . . . . 28.84 110.539 179.594 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 77' ' ' LEU . . . . . 0.61 HD12 ' HA ' ' D' ' 74' ' ' LEU . 46.1 mt -63.7 -46.93 83.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.921 -0.581 . . . . 28.56 110.592 179.612 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 78' ' ' TYR . . . . . 0.736 ' HB3' ' HB1' ' C' ' 55' ' ' ALA . 5.7 m-85 -79.01 -39.05 35.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.938 -0.574 . . . . 34.43 110.729 179.741 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 79' ' ' LYS . . . . . 0.527 ' O ' HG22 ' D' ' 82' ' ' THR . 3.7 ttmm -61.69 -28.98 69.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 42.61 110.81 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 80' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.3 -70.94 0.36 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.043 -0.526 . . . . 42.64 110.905 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 81' ' ' THR . . . . . 0.657 HG21 ' HA ' ' A' ' 82' ' ' THR . 4.2 t -73.74 68.64 1.27 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.259 -0.428 . . . . 40.71 110.928 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 82' ' ' THR . . . . . 0.527 HG22 ' O ' ' D' ' 79' ' ' LYS . 8.9 t . . . . . 0 C--O 1.25 1.108 0 CA-C-O 118.225 -0.893 . . . . 48.46 110.84 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.808 0.337 . . . . 44.28 111.199 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 62.4 92.25 0.06 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 36.15 110.973 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.426 ' O ' ' CB ' ' A' ' 58' ' ' LEU . 17.4 t0 -71.03 -31.44 67.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 38.82 110.882 179.821 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.415 ' O ' ' CB ' ' A' ' 59' ' ' ALA . . . -63.9 -33.87 76.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.369 -0.378 . . . . 30.45 110.798 179.762 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -66.9 -54.55 21.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 27.84 110.503 179.584 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.435 ' HG3' ' N ' ' A' ' 58' ' ' LEU . 6.2 ptp180 -68.65 -41.9 78.71 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.858 -0.61 . . . . 28.68 110.34 179.516 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.635 ' C ' HD13 ' A' ' 58' ' ' LEU . 2.2 tm? -62.84 -48.75 77.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.823 -0.626 . . . . 28.77 110.441 179.5 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.415 ' CB ' ' O ' ' A' ' 55' ' ' ALA . . . -58.4 -36.78 74.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.022 -0.535 . . . . 25.37 110.882 179.767 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -53.59 -51.36 63.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.429 . . . . 26.75 110.51 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.45 -39.8 92.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.042 -0.527 . . . . 27.48 110.65 179.752 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.449 ' HB2' ' CD1' ' B' ' 74' ' ' LEU . 77.9 mm-40 -59.16 -60.09 4.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.014 -0.539 . . . . 19.6 110.689 179.715 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 9.8 p -58.33 -30.03 66.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 16.14 110.552 179.729 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -59.27 -55.52 33.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.046 -0.525 . . . . 18.6 110.54 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 8.3 mt -54.3 -40.45 67.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.101 -0.499 . . . . 17.18 110.412 179.567 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 53.6 t -64.62 -50.62 74.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.027 -0.533 . . . . 9.99 110.8 179.564 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 24.3 tttt -59.06 -47.32 85.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.024 -0.534 . . . . 17.96 110.529 179.666 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 22.3 ttpt -58.62 -37.75 76.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.084 -0.507 . . . . 21.67 110.637 179.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.401 ' HE2' HG21 ' C' ' 73' ' ' THR . 29.6 ttp -64.43 -38.58 91.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.09 -0.505 . . . . 8.46 110.505 179.656 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.416 HG13 ' HG ' ' A' ' 74' ' ' LEU . 73.7 t -74.37 -40.89 50.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.945 -0.571 . . . . 5.99 110.966 179.784 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.508 ' CZ ' ' HD3' ' A' ' 75' ' ' LYS . 15.6 t80 -51.78 -64.24 0.88 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.462 -0.336 . . . . 16.49 110.622 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -51.1 -40.78 59.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.901 0.382 . . . . 10.49 110.611 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.413 HG21 ' HE2' ' C' ' 69' ' ' MET . 21.5 m -65.58 -71.11 0.2 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.071 -0.513 . . . . 12.55 110.314 179.617 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.46 ' CD1' ' HB3' ' B' ' 62' ' ' GLN . 18.2 mt -51.79 -34.61 40.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.091 -0.504 . . . . 19.16 111.06 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.508 ' HD3' ' CZ ' ' A' ' 71' ' ' PHE . 6.1 tttp -55.55 -64.28 0.9 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.112 0.482 . . . . 22.38 110.102 179.513 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -66.66 -35.77 80.94 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.677 -0.692 . . . . 16.75 110.776 179.684 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.567 ' O ' HD12 ' A' ' 77' ' ' LEU . 1.2 tp -61.23 -59.07 5.88 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.228 -0.442 . . . . 20.08 110.715 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.483 ' OH ' HG13 ' D' ' 70' ' ' VAL . 21.9 m-30 -59.91 -28.89 67.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.292 -0.413 . . . . 26.73 110.668 179.727 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 25.6 mttt -68.08 -28.46 67.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 28.08 110.623 179.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 4.9 tttt -65.27 -46.79 79.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.486 . . . . 31.57 110.914 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.719 ' OG1' HD22 ' D' ' 77' ' ' LEU . 78.1 p -50.83 -78.44 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.012 -0.54 . . . . 35.0 110.994 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.401 HG23 ' O ' ' A' ' 82' ' ' THR . 1.7 t . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.198 -0.906 . . . . 40.89 110.829 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 27.9 mmt180 . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.74 0.305 . . . . 40.95 111.225 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -113.06 24.04 12.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.258 -0.428 . . . . 39.6 110.932 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -67.16 -24.89 65.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 32.8 110.824 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.28 -45.17 80.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 32.16 111.133 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -61.33 -47.44 85.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 29.71 110.88 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 10.1 mmm180 -59.34 -40.5 86.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 22.63 110.83 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . 0.805 HD13 ' CG2' ' D' ' 73' ' ' THR . 91.9 mt -61.43 -57.33 12.64 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.994 -0.548 . . . . 17.87 110.945 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -47.69 -31.5 4.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.018 -0.537 . . . . 18.73 111.1 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -76.35 -53.74 7.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.07 -0.513 . . . . 23.01 110.761 179.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -60.56 -34.16 73.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 16.52 110.719 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . 0.653 ' O ' HG23 ' B' ' 66' ' ' VAL . 0.1 OUTLIER -77.07 -45.69 26.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 15.13 110.943 179.864 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 72.1 p -62.35 -52.52 63.29 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.319 -0.4 . . . . 12.84 110.623 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -54.15 -37.71 64.72 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.143 -0.48 . . . . 7.93 110.594 179.677 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.48 -41.59 97.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.048 -0.524 . . . . 5.59 110.69 179.774 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . 0.653 HG23 ' O ' ' B' ' 62' ' ' GLN . 3.5 t -62.23 -38.26 80.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.278 -0.419 . . . . 6.46 111.095 179.79 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 1.9 ttpm? -57.19 -60.24 3.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.091 -0.504 . . . . 15.23 110.846 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 2.3 mtmp? -53.16 -34.44 56.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 16.26 110.824 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 69' ' ' MET . . . . . . . . . . . . . 24.6 ttp -67.16 -49.28 65.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 12.87 110.78 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.417 HG13 ' OH ' ' C' ' 78' ' ' TYR . 86.7 t -74.09 -27.72 22.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.047 -0.524 . . . . 15.25 111.029 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 37.1 t80 -63.12 -42.41 99.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.297 -0.41 . . . . 24.86 110.655 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -64.42 -51.76 61.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.091 -0.504 . . . . 27.28 110.749 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 73' ' ' THR . . . . . 0.83 ' CG2' HD13 ' D' ' 58' ' ' LEU . 55.3 m -55.66 -49.51 72.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 21.58 110.906 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 74' ' ' LEU . . . . . 0.704 HD23 HD12 ' B' ' 77' ' ' LEU . 19.2 mt -56.15 -43.9 78.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 20.69 110.959 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 3.0 ttpt -49.83 -44.71 49.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.343 -0.39 . . . . 26.87 110.793 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -74.13 -36.56 64.19 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.015 -0.539 . . . . 30.29 110.512 179.69 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.808 HD22 ' OG1' ' C' ' 81' ' ' THR . 11.3 mt -55.15 -47.62 74.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.008 -0.542 . . . . 30.32 110.748 179.743 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 78' ' ' TYR . . . . . 0.518 ' CE1' HD12 ' A' ' 58' ' ' LEU . 2.5 m-85 -74.57 -45.98 41.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.02 -0.536 . . . . 31.83 111.027 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 4.0 mtmt -51.44 -31.11 21.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.293 -0.412 . . . . 40.26 110.772 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 8.1 mmtt -73.0 -40.26 65.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.463 . . . . 41.77 110.576 179.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 1.2 p -85.22 51.5 2.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.044 -0.526 . . . . 39.53 111.028 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 15.2 t . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.195 -0.907 . . . . 46.76 110.966 179.984 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 120.759 0.314 . . . . 42.47 111.214 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 53' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 62.37 92.34 0.06 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.181 -0.463 . . . . 39.63 110.933 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 54' ' ' ASP . . . . . 0.431 ' O ' ' CB ' ' C' ' 58' ' ' LEU . 17.8 t0 -71.14 -31.49 67.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.261 -0.427 . . . . 38.14 110.765 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 55' ' ' ALA . . . . . 0.411 ' O ' ' CB ' ' C' ' 59' ' ' ALA . . . -63.81 -33.88 76.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.886 0.374 . . . . 33.9 110.809 179.802 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -66.96 -54.49 21.44 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.11 -0.496 . . . . 29.45 110.452 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 57' ' ' ARG . . . . . 0.446 ' HG3' ' N ' ' C' ' 58' ' ' LEU . 6.3 ptp180 -68.71 -41.8 78.6 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.939 -0.573 . . . . 37.99 110.359 179.534 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 58' ' ' LEU . . . . . 0.633 HD13 ' C ' ' C' ' 58' ' ' LEU . 2.2 tm? -62.89 -48.66 78.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.699 -0.682 . . . . 26.03 110.473 179.491 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 59' ' ' ALA . . . . . 0.411 ' CB ' ' O ' ' C' ' 55' ' ' ALA . . . -58.36 -37.0 74.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.021 -0.536 . . . . 20.59 110.883 179.752 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -53.57 -51.2 63.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.074 -0.512 . . . . 19.52 110.567 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.54 -39.7 92.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.125 -0.489 . . . . 21.57 110.635 179.764 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 62' ' ' GLN . . . . . 0.439 ' HB2' ' CD1' ' D' ' 74' ' ' LEU . 78.8 mm-40 -59.24 -60.01 4.55 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.039 -0.528 . . . . 24.1 110.727 179.761 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 63' ' ' SER . . . . . . . . . . . . . 10.5 p -58.41 -30.14 66.63 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.125 -0.489 . . . . 17.37 110.496 179.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -59.03 -55.65 32.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.061 -0.518 . . . . 25.68 110.568 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 65' ' ' LEU . . . . . . . . . . . . . 8.3 mt -54.32 -40.27 67.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.146 -0.479 . . . . 18.25 110.441 179.608 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 66' ' ' VAL . . . . . . . . . . . . . 54.1 t -64.87 -50.48 74.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.095 -0.502 . . . . 14.93 110.724 179.56 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 67' ' ' LYS . . . . . . . . . . . . . 24.3 tttt -59.14 -47.36 85.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.068 -0.514 . . . . 9.34 110.507 179.677 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 68' ' ' LYS . . . . . . . . . . . . . 22.4 ttpt -58.53 -38.04 76.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 13.45 110.575 179.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 69' ' ' MET . . . . . 0.413 ' HE2' HG21 ' A' ' 73' ' ' THR . 29.7 ttp -64.14 -38.46 91.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 7.92 110.57 179.647 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 70' ' ' VAL . . . . . 0.418 HG13 ' HG ' ' C' ' 74' ' ' LEU . 72.7 t -74.64 -40.86 48.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.994 -0.548 . . . . 9.42 110.96 179.799 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 71' ' ' PHE . . . . . 0.504 ' CZ ' ' HD3' ' C' ' 75' ' ' LYS . 15.6 t80 -51.69 -64.44 0.81 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.403 -0.362 . . . . 13.24 110.695 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -50.92 -40.81 58.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.866 0.365 . . . . 13.07 110.576 179.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 73' ' ' THR . . . . . 0.401 HG21 ' HE2' ' A' ' 69' ' ' MET . 21.7 m -65.6 -71.09 0.2 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 11.48 110.347 179.644 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 74' ' ' LEU . . . . . 0.458 ' CD1' ' HB3' ' D' ' 62' ' ' GLN . 18.0 mt -51.77 -34.65 40.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 13.35 111.048 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 75' ' ' LYS . . . . . 0.504 ' HD3' ' CZ ' ' C' ' 71' ' ' PHE . 6.1 tttp -55.6 -63.93 1.01 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.222 -0.444 . . . . 14.0 110.191 179.532 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 76' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -67.07 -35.32 79.58 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.643 -0.708 . . . . 17.63 110.859 179.667 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 77' ' ' LEU . . . . . 0.56 ' O ' HD12 ' C' ' 77' ' ' LEU . 1.3 tp -61.51 -58.88 6.38 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.26 -0.427 . . . . 21.34 110.736 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 78' ' ' TYR . . . . . 0.417 ' OH ' HG13 ' B' ' 70' ' ' VAL . 21.9 m-30 -60.16 -29.01 68.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 25.35 110.621 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 25.8 mttt -67.9 -28.4 67.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 25.96 110.679 179.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 4.8 tttt -65.34 -46.64 79.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.074 -0.512 . . . . 27.99 110.936 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 81' ' ' THR . . . . . 0.808 ' OG1' HD22 ' B' ' 77' ' ' LEU . 74.8 p -51.05 -78.51 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.057 -0.519 . . . . 33.05 110.953 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 82' ' ' THR . . . . . 0.406 ' O ' HG23 ' C' ' 82' ' ' THR . 1.7 t . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.244 -0.884 . . . . 37.39 110.862 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 52' ' ' ARG . . . . . . . . . . . . . 27.9 mmt180 . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.774 0.321 . . . . 43.19 111.196 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -113.27 23.97 12.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.443 . . . . 38.48 110.988 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -67.11 -24.77 65.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 33.32 110.837 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.37 -45.26 80.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 30.06 111.144 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -61.19 -47.69 84.97 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.243 -0.435 . . . . 31.24 110.836 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 57' ' ' ARG . . . . . . . . . . . . . 10.1 mmm180 -59.1 -40.55 85.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 25.79 110.815 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 58' ' ' LEU . . . . . 0.83 HD13 ' CG2' ' B' ' 73' ' ' THR . 91.6 mt -61.5 -57.2 13.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.062 -0.517 . . . . 22.37 110.923 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 59' ' ' ALA . . . . . . . . . . . . . . . -47.76 -31.46 4.86 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.968 -0.56 . . . . 19.96 111.091 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 60' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -76.41 -53.61 7.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.997 -0.547 . . . . 17.27 110.723 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 61' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -60.49 -34.31 73.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.098 -0.501 . . . . 11.57 110.767 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 62' ' ' GLN . . . . . 0.654 ' O ' HG23 ' D' ' 66' ' ' VAL . 0.1 OUTLIER -76.99 -45.63 26.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 10.91 110.927 179.867 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' D' D ' 63' ' ' SER . . . . . . . . . . . . . 72.4 p -62.52 -52.52 63.13 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.361 -0.382 . . . . 16.67 110.666 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 64' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -54.2 -37.78 64.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 15.23 110.62 179.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 65' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.43 -41.69 97.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.006 -0.543 . . . . 9.91 110.679 179.753 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 66' ' ' VAL . . . . . 0.654 HG23 ' O ' ' D' ' 62' ' ' GLN . 3.4 t -62.17 -38.31 80.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.253 -0.43 . . . . 8.04 111.066 179.82 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 67' ' ' LYS . . . . . . . . . . . . . 1.9 ttpm? -57.16 -59.91 4.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.086 -0.506 . . . . 13.51 110.866 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 68' ' ' LYS . . . . . . . . . . . . . 2.3 mtmp? -53.44 -34.48 58.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 8.41 110.808 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 69' ' ' MET . . . . . . . . . . . . . 24.9 ttp -67.06 -49.41 65.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 11.02 110.722 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 70' ' ' VAL . . . . . 0.483 HG13 ' OH ' ' A' ' 78' ' ' TYR . 92.1 t -73.83 -27.9 23.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.006 -0.543 . . . . 10.91 111.107 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 36.9 t80 -63.05 -42.36 99.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.279 -0.419 . . . . 18.27 110.722 179.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -64.53 -51.54 62.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 23.84 110.784 179.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 73' ' ' THR . . . . . 0.805 ' CG2' HD13 ' B' ' 58' ' ' LEU . 53.6 m -55.77 -49.62 72.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 24.02 110.887 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 74' ' ' LEU . . . . . 0.725 HD23 HD12 ' D' ' 77' ' ' LEU . 19.4 mt -56.06 -43.9 78.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 27.43 110.94 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 75' ' ' LYS . . . . . . . . . . . . . 3.0 ttpt -49.79 -44.89 49.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.286 -0.415 . . . . 28.82 110.777 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 76' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -73.92 -36.66 64.72 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.013 -0.54 . . . . 28.92 110.479 179.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 77' ' ' LEU . . . . . 0.725 HD12 HD23 ' D' ' 74' ' ' LEU . 11.5 mt -54.97 -47.89 73.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.055 -0.521 . . . . 29.08 110.809 179.712 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 78' ' ' TYR . . . . . 0.513 ' CE1' HD12 ' C' ' 58' ' ' LEU . 2.6 m-85 -74.29 -46.24 42.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.965 -0.562 . . . . 34.59 111.005 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 79' ' ' LYS . . . . . . . . . . . . . 4.0 mtmt -51.18 -31.1 18.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.306 -0.406 . . . . 43.8 110.855 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 80' ' ' LYS . . . . . . . . . . . . . 8.2 mmtt -72.98 -40.23 65.44 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.204 -0.453 . . . . 42.47 110.576 179.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 81' ' ' THR . . . . . . . . . . . . . 1.3 p -85.44 51.65 2.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.061 -0.518 . . . . 41.36 111.056 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 82' ' ' THR . . . . . . . . . . . . . 15.2 t . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.286 -0.864 . . . . 50.33 110.938 -179.967 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 11.0 mtt180 . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.836 0.351 . . . . 45.16 111.124 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 16.9 t30 -178.27 88.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 40.86 110.866 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -50.45 -30.79 13.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 41.27 110.82 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.538 ' HB1' ' CB ' ' B' ' 78' ' ' TYR . . . -60.62 -41.32 94.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.412 -0.358 . . . . 35.47 110.625 179.783 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -67.62 -52.76 34.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 30.52 110.283 179.56 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 3.6 ttp180 -59.46 -45.95 90.16 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.819 -0.628 . . . . 39.07 110.28 179.507 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.449 HD23 ' HA ' ' A' ' 58' ' ' LEU . 18.5 mt -55.43 -45.01 76.79 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.811 -0.631 . . . . 29.19 110.494 179.615 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.638 ' HA ' HD13 ' B' ' 74' ' ' LEU . . . -52.2 -39.7 60.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.049 -0.523 . . . . 20.98 110.813 179.776 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -68.65 -36.31 78.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 18.44 110.668 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.45 -52.19 54.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.122 -0.49 . . . . 20.56 110.789 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.778 ' HA ' HD12 ' A' ' 65' ' ' LEU . 26.6 mm-40 -57.87 -47.06 83.84 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.075 -0.511 . . . . 23.56 110.373 179.688 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 7.3 p -56.64 -35.79 68.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.019 -0.537 . . . . 18.45 110.664 179.689 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -63.42 -37.75 88.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.085 -0.507 . . . . 26.83 110.798 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.778 HD12 ' HA ' ' A' ' 62' ' ' GLN . 7.0 mt -67.31 -35.35 79.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.491 . . . . 19.37 110.581 179.786 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.511 ' O ' HG23 ' A' ' 70' ' ' VAL . 60.5 t -80.65 -33.46 13.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.125 -0.489 . . . . 15.06 111.053 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.3 tttt -76.49 -30.55 57.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 8.72 110.523 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.427 ' HG3' ' N ' ' A' ' 69' ' ' MET . 0.4 OUTLIER -75.82 -39.75 56.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.063 -0.517 . . . . 13.95 110.437 179.569 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.427 ' N ' ' HG3' ' A' ' 68' ' ' LYS . 13.9 ptt? -66.56 -32.2 73.39 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.092 -0.504 . . . . 8.89 110.732 179.769 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 66' ' ' VAL . 53.5 t -73.65 -44.13 53.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.078 -0.51 . . . . 9.21 110.756 179.649 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.427 ' O ' ' CB ' ' A' ' 75' ' ' LYS . 10.7 t80 -50.72 -58.0 6.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.428 -0.351 . . . . 16.12 110.61 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -51.84 -44.27 63.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.369 -0.378 . . . . 14.36 110.467 179.648 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.418 HG21 ' HE1' ' C' ' 69' ' ' MET . 18.8 m -64.88 -70.44 0.23 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.032 -0.531 . . . . 10.0 110.441 179.557 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.472 ' CD1' ' HB3' ' B' ' 62' ' ' GLN . 14.4 mt -50.05 -36.7 30.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.463 . . . . 12.84 111.053 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.427 ' CB ' ' O ' ' A' ' 71' ' ' PHE . 3.5 tttp -54.63 -69.15 0.14 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.095 -0.502 . . . . 15.06 110.28 179.528 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.33 -30.69 71.35 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.715 -0.675 . . . . 18.22 110.831 179.611 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.596 ' C ' HD12 ' A' ' 77' ' ' LEU . 0.9 OUTLIER -64.68 -65.66 0.65 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.383 -0.371 . . . . 21.31 110.747 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.677 ' OH ' HG13 ' D' ' 70' ' ' VAL . 18.6 m-85 -54.73 -22.63 14.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.439 -0.346 . . . . 26.75 110.891 179.808 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 3.9 tppt? -70.57 -34.64 72.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.365 -0.379 . . . . 25.68 110.84 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 13.1 tttt -72.04 -32.45 67.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 29.16 110.89 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.439 ' OG1' HD13 ' D' ' 77' ' ' LEU . 0.0 OUTLIER -55.06 -78.22 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.485 . . . . 33.8 110.894 179.918 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 10.8 t . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.226 -0.892 . . . . 39.48 110.912 179.904 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.838 0.351 . . . . 43.74 111.074 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -101.9 30.98 4.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 37.42 110.906 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -73.18 -27.83 61.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 32.54 110.989 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -53.43 -31.65 46.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.314 -0.403 . . . . 29.37 111.189 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -80.82 -41.23 23.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.448 . . . . 33.7 110.984 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 26.3 mtt180 -62.59 -31.59 72.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.446 . . . . 25.19 111.077 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . 0.962 HD13 ' CG2' ' D' ' 73' ' ' THR . 60.1 mt -74.11 -50.1 20.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 22.07 111.059 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.88 -40.33 60.46 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.163 -0.472 . . . . 20.46 111.108 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.34 -55.59 7.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.092 -0.504 . . . . 21.82 111.025 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -56.73 -42.17 78.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 12.58 110.936 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . 0.474 ' O ' HG23 ' B' ' 66' ' ' VAL . 0.0 OUTLIER -67.84 -39.91 83.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.19 -0.459 . . . . 10.6 111.222 -179.81 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 2.8 p -65.76 -57.18 8.59 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.487 -0.324 . . . . 16.38 110.909 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . 0.422 ' HG3' ' N ' ' B' ' 65' ' ' LEU . 8.1 pt-20 -48.47 -32.97 8.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.315 -0.402 . . . . 17.31 110.935 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . 0.422 ' N ' ' HG3' ' B' ' 64' ' ' GLU . 0.0 OUTLIER -65.96 -44.99 83.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.04 -0.527 . . . . 10.47 110.624 179.841 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . 0.474 HG23 ' O ' ' B' ' 62' ' ' GLN . 19.8 t -57.73 -37.49 59.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.31 -0.404 . . . . 8.1 110.766 179.765 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 75.1 tttt -60.12 -55.5 33.09 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.004 -0.544 . . . . 11.28 110.698 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 23.9 mttt -56.44 -32.53 64.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 9.65 110.721 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 69' ' ' MET . . . . . . . . . . . . . 41.1 ttp -71.22 -50.92 27.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 11.23 110.784 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.777 HG13 ' OH ' ' C' ' 78' ' ' TYR . 60.8 t -75.08 -22.3 16.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 10.96 111.15 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -63.29 -46.38 87.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.871 0.367 . . . . 17.88 110.54 179.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.47 -46.11 77.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.116 -0.493 . . . . 24.38 110.586 179.762 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 73' ' ' THR . . . . . 0.938 ' CG2' HD13 ' D' ' 58' ' ' LEU . 87.1 m -52.07 -53.13 45.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.093 -0.503 . . . . 24.73 110.856 179.804 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 74' ' ' LEU . . . . . 0.638 HD13 ' HA ' ' A' ' 59' ' ' ALA . 46.5 mt -54.3 -42.68 70.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 27.14 111.088 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.96 -46.95 52.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.32 -0.4 . . . . 27.78 110.844 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 76' ' ' ASP . . . . . 0.441 ' HA ' ' CG ' ' B' ' 79' ' ' LYS . 63.3 m-20 -72.31 -30.52 64.86 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.946 -0.57 . . . . 28.23 110.677 179.626 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.773 ' O ' HG22 ' B' ' 81' ' ' THR . 20.1 mt -65.56 -37.38 86.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.929 -0.578 . . . . 28.69 110.966 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 78' ' ' TYR . . . . . 0.538 ' CB ' ' HB1' ' A' ' 55' ' ' ALA . 15.4 m-85 -84.97 -61.34 1.8 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.446 . . . . 33.95 111.164 -179.688 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 79' ' ' LYS . . . . . 0.441 ' CG ' ' HA ' ' B' ' 76' ' ' ASP . 0.0 OUTLIER -45.8 -37.91 6.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.207 -0.451 . . . . 43.51 111.285 -179.834 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.4 -58.62 4.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.306 -0.406 . . . . 41.98 110.829 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . 0.773 HG22 ' O ' ' B' ' 77' ' ' LEU . 8.8 t -79.54 58.31 2.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 40.66 110.844 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 14.7 t . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.222 -0.894 . . . . 49.2 110.881 -179.907 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 52' ' ' ARG . . . . . . . . . . . . . 10.9 mtt180 . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.829 0.347 . . . . 46.97 111.251 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 53' ' ' ASN . . . . . . . . . . . . . 16.9 t30 -178.37 88.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 35.98 110.904 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -50.4 -30.99 13.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 38.0 110.833 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 55' ' ' ALA . . . . . 0.546 ' HB1' ' CB ' ' D' ' 78' ' ' TYR . . . -60.39 -41.3 93.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.892 0.377 . . . . 30.66 110.71 179.693 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -67.72 -52.6 35.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 27.05 110.435 179.476 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 57' ' ' ARG . . . . . . . . . . . . . 3.6 ttp180 -59.56 -46.19 89.63 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.86 -0.609 . . . . 26.36 110.242 179.474 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 58' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' C' ' 58' ' ' LEU . 18.7 mt -54.98 -45.25 74.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.718 -0.674 . . . . 27.49 110.552 179.595 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 59' ' ' ALA . . . . . 0.669 ' HA ' HD13 ' D' ' 74' ' ' LEU . . . -52.08 -39.67 60.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.988 -0.551 . . . . 24.33 110.851 179.74 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -68.66 -36.35 78.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 26.42 110.658 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.33 -52.25 55.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.069 -0.514 . . . . 27.2 110.817 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 62' ' ' GLN . . . . . 0.767 ' HA ' HD12 ' C' ' 65' ' ' LEU . 26.6 mm-40 -57.83 -47.07 83.7 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.025 -0.534 . . . . 20.02 110.483 179.7 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 63' ' ' SER . . . . . . . . . . . . . 8.4 p -56.6 -35.87 68.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.937 -0.574 . . . . 16.01 110.616 179.656 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -63.48 -37.68 88.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.484 . . . . 18.86 110.699 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 65' ' ' LEU . . . . . 0.767 HD12 ' HA ' ' C' ' 62' ' ' GLN . 6.9 mt -67.26 -35.47 79.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 15.99 110.552 179.806 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 66' ' ' VAL . . . . . 0.509 ' O ' HG23 ' C' ' 70' ' ' VAL . 61.0 t -80.5 -33.46 13.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.066 -0.516 . . . . 9.98 111.047 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 67' ' ' LYS . . . . . 0.422 ' HG2' ' HB2' ' D' ' 63' ' ' SER . 4.3 tttt -76.31 -30.95 57.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 19.05 110.531 179.724 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 68' ' ' LYS . . . . . 0.422 ' HG3' ' N ' ' C' ' 69' ' ' MET . 0.4 OUTLIER -75.46 -39.92 58.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 19.23 110.38 179.585 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' C' C ' 69' ' ' MET . . . . . 0.422 ' N ' ' HG3' ' C' ' 68' ' ' LYS . 14.2 ptt? -66.5 -32.03 73.13 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.466 . . . . 8.38 110.733 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 70' ' ' VAL . . . . . 0.509 HG23 ' O ' ' C' ' 66' ' ' VAL . 51.7 t -73.83 -43.79 52.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 4.75 110.743 179.741 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 71' ' ' PHE . . . . . 0.438 ' O ' ' CB ' ' C' ' 75' ' ' LYS . 10.8 t80 -51.06 -57.86 7.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.408 -0.36 . . . . 13.88 110.702 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -51.9 -44.37 63.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.869 0.366 . . . . 7.62 110.417 179.654 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 73' ' ' THR . . . . . . . . . . . . . 19.1 m -64.84 -70.58 0.22 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.018 -0.537 . . . . 13.33 110.342 179.61 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 74' ' ' LEU . . . . . 0.464 ' CD1' ' HB3' ' D' ' 62' ' ' GLN . 14.4 mt -49.8 -36.87 27.82 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.24 -0.436 . . . . 19.03 111.052 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 75' ' ' LYS . . . . . 0.438 ' CB ' ' O ' ' C' ' 71' ' ' PHE . 3.5 tttp -54.48 -69.2 0.13 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.045 -0.525 . . . . 22.38 110.301 179.514 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 76' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.4 -30.61 71.33 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.757 -0.656 . . . . 15.44 110.887 179.677 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 77' ' ' LEU . . . . . 0.605 HD12 ' C ' ' C' ' 77' ' ' LEU . 0.8 OUTLIER -64.71 -65.44 0.67 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.317 -0.401 . . . . 19.58 110.699 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' C' C ' 78' ' ' TYR . . . . . 0.777 ' OH ' HG13 ' B' ' 70' ' ' VAL . 18.6 m-85 -54.81 -23.0 16.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 25.9 110.926 179.761 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 3.9 tppt? -70.29 -34.73 73.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.29 -0.414 . . . . 28.12 110.898 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 13.1 tttt -71.97 -32.58 67.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 30.12 110.931 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -55.06 -78.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 34.13 110.886 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 82' ' ' THR . . . . . . . . . . . . . 10.6 t . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.181 -0.914 . . . . 40.71 110.873 -179.978 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.842 0.353 . . . . 41.62 111.109 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -101.8 30.64 4.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 40.05 110.985 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -72.92 -28.0 62.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 33.45 110.971 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 55' ' ' ALA . . . . . . . . . . . . . . . -53.37 -31.59 45.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 33.34 111.173 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -80.79 -41.36 23.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.431 . . . . 30.51 110.992 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 57' ' ' ARG . . . . . . . . . . . . . 25.6 mtt180 -62.45 -31.62 72.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.23 -0.441 . . . . 26.02 111.199 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 58' ' ' LEU . . . . . 0.938 HD13 ' CG2' ' B' ' 73' ' ' THR . 60.2 mt -74.05 -50.23 20.62 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.319 -0.401 . . . . 18.2 110.992 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.73 -40.32 60.02 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.138 -0.483 . . . . 18.37 111.021 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.5 -55.67 7.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.481 . . . . 23.47 110.895 -179.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 61' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -56.57 -42.31 78.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.094 -0.503 . . . . 16.22 110.971 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 62' ' ' GLN . . . . . 0.467 ' O ' HG23 ' D' ' 66' ' ' VAL . 0.0 OUTLIER -67.68 -40.03 84.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 15.11 111.264 -179.862 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' D' D ' 63' ' ' SER . . . . . 0.422 ' HB2' ' HG2' ' C' ' 67' ' ' LYS . 2.9 p -65.55 -57.14 8.91 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.769 0.318 . . . . 12.98 110.982 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 64' ' ' GLU . . . . . 0.411 ' HG3' ' N ' ' D' ' 65' ' ' LEU . 8.1 pt-20 -48.64 -33.09 9.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.34 -0.391 . . . . 9.98 110.832 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 65' ' ' LEU . . . . . 0.411 ' N ' ' HG3' ' D' ' 64' ' ' GLU . 0.0 OUTLIER -65.69 -45.3 83.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.034 -0.53 . . . . 5.58 110.651 179.765 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' D' D ' 66' ' ' VAL . . . . . 0.467 HG23 ' O ' ' D' ' 62' ' ' GLN . 20.8 t -57.64 -36.95 56.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.294 -0.412 . . . . 7.02 110.853 179.781 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 67' ' ' LYS . . . . . . . . . . . . . 74.5 tttt -60.66 -55.4 33.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.004 -0.544 . . . . 18.98 110.786 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 68' ' ' LYS . . . . . . . . . . . . . 23.8 mttt -56.37 -32.66 64.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 15.51 110.729 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 69' ' ' MET . . . . . . . . . . . . . 40.1 ttp -71.1 -51.14 26.81 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.094 -0.503 . . . . 12.87 110.803 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 70' ' ' VAL . . . . . 0.677 HG13 ' OH ' ' A' ' 78' ' ' TYR . 59.4 t -74.88 -22.24 17.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 15.45 111.132 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -63.33 -46.11 88.18 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.296 -0.411 . . . . 24.87 110.705 179.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -66.78 -45.86 77.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.072 -0.513 . . . . 28.33 110.582 179.722 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 73' ' ' THR . . . . . 0.962 ' CG2' HD13 ' B' ' 58' ' ' LEU . 85.9 m -52.2 -52.95 49.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 20.81 110.869 179.823 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 74' ' ' LEU . . . . . 0.669 HD13 ' HA ' ' C' ' 59' ' ' ALA . 47.8 mt -54.43 -42.95 71.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.484 . . . . 21.56 111.119 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.57 -46.84 49.43 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.323 -0.399 . . . . 28.3 110.842 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 76' ' ' ASP . . . . . 0.438 ' HA ' ' CG ' ' D' ' 79' ' ' LYS . 63.4 m-20 -72.47 -30.31 64.44 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.006 -0.543 . . . . 30.97 110.682 179.642 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 77' ' ' LEU . . . . . 0.77 ' O ' HG22 ' D' ' 81' ' ' THR . 20.0 mt -65.91 -37.31 85.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.94 -0.573 . . . . 30.41 110.931 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 78' ' ' TYR . . . . . 0.546 ' CB ' ' HB1' ' C' ' 55' ' ' ALA . 15.2 m-85 -84.96 -61.18 1.84 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 33.05 111.176 -179.782 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 79' ' ' LYS . . . . . 0.438 ' CG ' ' HA ' ' D' ' 76' ' ' ASP . 0.0 OUTLIER -45.87 -37.88 6.76 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.183 -0.462 . . . . 39.45 111.351 -179.816 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' D' D ' 80' ' ' LYS . . . . . 0.405 ' HB2' ' O ' ' D' ' 76' ' ' ASP . 0.1 OUTLIER -66.57 -58.48 5.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.286 -0.416 . . . . 43.79 110.867 179.933 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' D' D ' 81' ' ' THR . . . . . 0.77 HG22 ' O ' ' D' ' 77' ' ' LEU . 8.8 t -79.49 58.04 2.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.431 . . . . 40.37 110.894 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 82' ' ' THR . . . . . . . . . . . . . 14.6 t . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.321 -0.847 . . . . 47.82 110.856 -179.957 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 24.2 ttm180 . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.818 0.342 . . . . 43.43 111.137 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 60.38 104.95 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 40.16 110.984 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -78.9 -31.94 45.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 38.22 110.673 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.58 -35.42 77.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.212 -0.449 . . . . 34.48 110.843 179.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -73.02 -52.47 14.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.065 -0.516 . . . . 29.7 110.405 179.642 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.409 ' NH1' ' HB3' ' A' ' 57' ' ' ARG . 8.3 mtm105 -63.39 -39.14 93.71 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.936 -0.574 . . . . 37.02 110.373 179.525 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.406 ' HA ' HD23 ' A' ' 58' ' ' LEU . 11.9 mt -59.93 -51.37 69.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.906 -0.588 . . . . 27.06 110.638 179.528 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -50.18 -36.02 28.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.1 -0.5 . . . . 20.04 110.885 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -67.99 -29.85 68.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.081 -0.509 . . . . 18.99 110.624 179.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -74.88 -50.73 15.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.058 -0.519 . . . . 21.26 110.771 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.571 ' HB2' HD13 ' B' ' 74' ' ' LEU . 64.7 mm-40 -53.89 -53.99 44.92 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.93 -0.577 . . . . 24.21 110.755 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.2 m -58.42 -39.0 78.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 16.7 110.622 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.402 ' O ' ' HG2' ' A' ' 67' ' ' LYS . 0.7 OUTLIER -56.53 -26.82 55.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 26.35 110.523 179.791 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.9 mt -79.83 -32.31 40.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 18.08 110.462 179.712 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.4 ' O ' HG23 ' A' ' 70' ' ' VAL . 21.4 t -78.84 -38.03 20.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.857 -0.61 . . . . 14.92 110.947 179.833 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.421 ' HG3' ' N ' ' A' ' 68' ' ' LYS . 2.1 ptmm? -62.7 -46.71 86.87 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.228 -0.442 . . . . 10.66 110.644 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.421 ' N ' ' HG3' ' A' ' 67' ' ' LYS . 1.6 mppt? -60.1 -42.51 94.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 12.19 110.446 179.575 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 24.2 ttp -59.45 -37.89 79.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.033 -0.53 . . . . 8.06 110.449 179.576 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 66' ' ' VAL . 77.2 t -73.78 -42.51 54.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.01 -0.541 . . . . 9.41 110.76 179.673 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.434 ' O ' ' CB ' ' A' ' 75' ' ' LYS . 39.1 t80 -52.03 -59.76 3.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.424 -0.353 . . . . 14.24 110.44 179.771 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -53.53 -44.15 68.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.919 0.39 . . . . 12.8 110.377 179.698 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 20.0 m -63.6 -70.24 0.23 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.096 -0.502 . . . . 11.47 110.167 179.499 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.463 ' CD1' ' HB3' ' B' ' 62' ' ' GLN . 14.5 mt -50.25 -36.3 30.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.064 -0.516 . . . . 13.53 110.861 179.728 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.434 ' CB ' ' O ' ' A' ' 71' ' ' PHE . 17.4 ttpp -54.95 -69.32 0.13 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.107 0.48 . . . . 14.16 110.118 179.572 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.32 -31.03 71.6 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.684 -0.689 . . . . 17.68 110.716 179.656 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.598 ' C ' HD12 ' A' ' 77' ' ' LEU . 0.8 OUTLIER -64.06 -63.39 1.16 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.407 -0.361 . . . . 21.43 110.541 179.881 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.618 ' OH ' HG13 ' D' ' 70' ' ' VAL . 22.1 m-30 -55.34 -32.13 62.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.288 -0.415 . . . . 25.6 110.578 179.651 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.3 tptm -65.26 -28.95 69.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.097 -0.501 . . . . 27.28 110.527 179.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.61 -37.84 85.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.03 -0.532 . . . . 28.06 110.721 179.831 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 21.9 p -63.84 -57.89 8.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.912 -0.585 . . . . 33.22 110.908 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 81.2 p . . . . . 0 C--O 1.248 0.98 0 CA-C-O 118.222 -0.894 . . . . 37.41 110.994 179.96 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 6.3 mpt_? . . . . . 0 N--CA 1.487 1.41 0 CA-C-O 120.782 0.325 . . . . 43.3 111.27 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -96.14 21.0 9.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 38.74 110.969 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -63.62 -22.14 66.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.454 -0.339 . . . . 33.5 110.945 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.74 -49.44 76.57 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.266 -0.424 . . . . 30.08 111.131 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -58.56 -46.47 86.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 33.24 110.849 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 74.2 mtt180 -60.96 -33.5 73.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 28.67 110.656 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . 0.651 HD13 ' CG2' ' D' ' 73' ' ' THR . 61.7 mt -70.18 -54.51 12.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.088 -0.505 . . . . 22.49 110.87 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.25 -30.53 17.95 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.914 -0.584 . . . . 19.89 111.153 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -71.3 -62.74 1.29 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 18.13 110.962 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -56.62 -36.07 69.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.299 -0.41 . . . . 11.6 110.684 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . 0.511 ' O ' HG23 ' B' ' 66' ' ' VAL . 0.0 OUTLIER -70.39 -42.3 71.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 10.82 110.824 179.693 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 8.5 p -65.63 -56.41 12.35 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.277 -0.42 . . . . 16.59 110.833 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 19.1 pt-20 -49.34 -37.13 23.45 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.28 -0.418 . . . . 17.27 110.675 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.72 -41.3 97.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.491 . . . . 10.55 110.717 179.753 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . 0.511 HG23 ' O ' ' B' ' 62' ' ' GLN . 25.7 t -62.67 -36.48 75.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 8.18 110.796 179.707 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 1.2 tttt -61.59 -53.35 57.47 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.058 -0.519 . . . . 14.15 110.633 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 21.8 ttmt -54.86 -36.84 65.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 9.54 110.626 179.663 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 69' ' ' MET . . . . . . . . . . . . . 33.3 ttp -66.05 -52.8 45.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.014 -0.539 . . . . 11.11 110.563 179.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.626 HG13 ' OH ' ' C' ' 78' ' ' TYR . 81.1 t -69.45 -26.93 32.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.082 -0.508 . . . . 10.9 110.765 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 33.0 t80 -57.33 -43.49 83.43 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.149 -0.478 . . . . 18.12 110.547 179.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -67.55 -50.15 59.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 24.27 110.603 179.656 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 73' ' ' THR . . . . . 0.657 HG23 HD22 ' D' ' 58' ' ' LEU . 52.4 m -50.26 -59.02 4.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 23.72 110.784 179.749 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 74' ' ' LEU . . . . . 0.583 ' HA ' HD12 ' B' ' 77' ' ' LEU . 23.5 mt -50.36 -39.32 46.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 27.14 110.966 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 4.1 tttt -49.2 -46.83 46.25 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.274 -0.421 . . . . 28.52 110.892 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -75.71 -26.36 57.45 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.948 -0.569 . . . . 28.25 110.78 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.583 HD12 ' HA ' ' B' ' 74' ' ' LEU . 43.3 mt -69.01 -49.56 56.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.082 -0.508 . . . . 28.18 110.968 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -73.7 -27.63 61.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 33.6 111.01 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.81 -48.53 77.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.228 -0.442 . . . . 42.08 110.877 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 1.1 mtpp -54.4 -65.85 0.5 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 41.54 110.79 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 4.0 t -74.25 70.28 1.63 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 39.86 110.9 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 9.1 t . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.254 -0.879 . . . . 48.62 110.871 -179.999 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 52' ' ' ARG . . . . . . . . . . . . . 24.1 ttm180 . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.811 0.338 . . . . 45.45 111.191 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 60.4 105.05 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.123 -0.49 . . . . 35.62 110.981 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 54' ' ' ASP . . . . . 0.4 ' O ' ' HG ' ' C' ' 58' ' ' LEU . 30.9 t0 -78.97 -31.73 45.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 37.91 110.704 179.786 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.95 -35.18 77.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.435 . . . . 30.13 110.809 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -73.26 -52.44 14.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 26.72 110.391 179.586 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 57' ' ' ARG . . . . . 0.41 ' HB3' ' NH1' ' C' ' 57' ' ' ARG . 8.4 mtm105 -63.23 -39.31 94.26 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.938 -0.574 . . . . 27.38 110.361 179.46 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 58' ' ' LEU . . . . . 0.408 ' HA ' HD23 ' C' ' 58' ' ' LEU . 11.9 mt -59.94 -51.45 69.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.871 -0.604 . . . . 28.88 110.631 179.594 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -50.14 -35.94 27.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 24.46 110.9 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -67.87 -30.01 69.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.088 -0.506 . . . . 25.62 110.611 179.707 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -74.81 -50.48 17.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.002 -0.545 . . . . 27.21 110.817 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 64.4 mm-40 -54.11 -53.89 47.11 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.005 -0.543 . . . . 19.19 110.716 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 63' ' ' SER . . . . . . . . . . . . . 1.2 m -58.53 -38.81 78.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 15.92 110.732 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.74 -26.79 58.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.122 -0.49 . . . . 17.02 110.542 179.8 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 65' ' ' LEU . . . . . . . . . . . . . 4.9 mt -79.8 -32.65 40.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.072 -0.513 . . . . 17.17 110.366 179.682 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 66' ' ' VAL . . . . . . . . . . . . . 21.4 t -78.42 -38.26 22.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.943 -0.572 . . . . 9.8 110.982 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 67' ' ' LYS . . . . . 0.418 ' HG3' ' N ' ' C' ' 68' ' ' LYS . 2.2 ptmm? -62.43 -46.82 86.81 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.238 -0.437 . . . . 18.08 110.72 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 68' ' ' LYS . . . . . 0.418 ' N ' ' HG3' ' C' ' 67' ' ' LYS . 1.6 mppt? -60.09 -42.46 94.69 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.181 -0.463 . . . . 21.46 110.402 179.607 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 69' ' ' MET . . . . . . . . . . . . . 24.0 ttp -59.46 -37.79 79.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.958 -0.565 . . . . 8.65 110.442 179.596 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 74.0 t -73.97 -42.39 52.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.031 -0.531 . . . . 5.82 110.815 179.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 71' ' ' PHE . . . . . 0.432 ' CZ ' ' HD3' ' C' ' 75' ' ' LYS . 39.0 t80 -52.13 -59.79 3.96 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.402 -0.363 . . . . 16.71 110.444 179.742 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -53.48 -44.18 68.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.926 0.393 . . . . 9.7 110.367 179.721 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 73' ' ' THR . . . . . . . . . . . . . 19.9 m -63.63 -70.22 0.23 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.049 -0.523 . . . . 12.05 110.183 179.443 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 74' ' ' LEU . . . . . 0.461 ' CD1' ' HB3' ' D' ' 62' ' ' GLN . 14.8 mt -50.21 -36.34 30.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.08 -0.509 . . . . 18.64 110.95 179.725 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 75' ' ' LYS . . . . . 0.432 ' HD3' ' CZ ' ' C' ' 71' ' ' PHE . 17.4 ttpp -54.82 -69.57 0.13 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.069 -0.514 . . . . 19.68 110.136 179.462 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 76' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.17 -30.91 71.39 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.632 -0.713 . . . . 15.8 110.794 179.654 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 77' ' ' LEU . . . . . 0.6 HD12 ' C ' ' C' ' 77' ' ' LEU . 0.8 OUTLIER -64.23 -63.22 1.2 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.336 -0.393 . . . . 19.35 110.593 179.858 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 78' ' ' TYR . . . . . 0.626 ' OH ' HG13 ' B' ' 70' ' ' VAL . 22.0 m-30 -55.54 -32.08 62.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.31 -0.404 . . . . 25.94 110.555 179.646 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 1.3 tptm -65.23 -28.86 69.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.088 -0.506 . . . . 27.13 110.576 179.681 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.59 -38.1 86.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.03 -0.532 . . . . 30.33 110.598 179.76 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 81' ' ' THR . . . . . . . . . . . . . 21.8 p -63.66 -57.93 8.5 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.983 -0.553 . . . . 34.3 110.899 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 82' ' ' THR . . . . . . . . . . . . . 80.8 p . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.23 -0.89 . . . . 40.24 110.984 179.994 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 52' ' ' ARG . . . . . . . . . . . . . 6.3 mpt_? . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.753 0.311 . . . . 42.32 111.284 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -95.88 20.77 9.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 40.98 111.072 179.813 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -63.58 -21.95 66.63 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.41 -0.359 . . . . 33.98 110.94 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.9 -49.36 77.0 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.322 -0.399 . . . . 32.8 111.166 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -58.55 -46.32 87.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 31.44 110.832 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 57' ' ' ARG . . . . . . . . . . . . . 73.8 mtt180 -61.23 -33.35 73.36 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.292 -0.413 . . . . 26.07 110.655 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 58' ' ' LEU . . . . . 0.657 HD22 HG23 ' B' ' 73' ' ' THR . 62.3 mt -70.33 -54.21 13.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.148 -0.478 . . . . 18.69 110.939 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.51 -30.51 20.56 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.939 -0.573 . . . . 18.94 111.133 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 60' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -71.28 -62.9 1.23 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.195 -0.457 . . . . 23.97 110.898 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 61' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -56.55 -35.99 68.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.306 -0.406 . . . . 17.29 110.663 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 62' ' ' GLN . . . . . 0.509 ' O ' HG23 ' D' ' 66' ' ' VAL . 0.0 OUTLIER -70.57 -42.16 71.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.144 -0.48 . . . . 15.54 110.851 179.802 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' D' D ' 63' ' ' SER . . . . . . . . . . . . . 8.7 p -65.77 -56.05 14.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.25 -0.432 . . . . 12.93 110.794 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 64' ' ' GLU . . . . . . . . . . . . . 19.1 pt-20 -49.52 -37.02 25.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.292 -0.413 . . . . 9.84 110.779 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 65' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.69 -41.62 97.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.038 -0.528 . . . . 5.74 110.63 179.716 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 66' ' ' VAL . . . . . 0.509 HG23 ' O ' ' D' ' 62' ' ' GLN . 25.3 t -62.46 -36.48 75.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 6.5 110.838 179.764 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 67' ' ' LYS . . . . . . . . . . . . . 1.2 tttt -61.63 -53.13 60.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.048 -0.524 . . . . 16.0 110.684 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 68' ' ' LYS . . . . . . . . . . . . . 21.8 ttmt -55.07 -36.82 66.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 17.99 110.574 179.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 69' ' ' MET . . . . . . . . . . . . . 33.5 ttp -66.14 -52.61 46.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.041 -0.527 . . . . 13.09 110.67 179.733 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 70' ' ' VAL . . . . . 0.618 HG13 ' OH ' ' A' ' 78' ' ' TYR . 86.3 t -69.74 -26.65 31.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.081 -0.509 . . . . 15.42 110.801 179.794 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 32.7 t80 -57.53 -43.55 84.43 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.107 -0.497 . . . . 25.08 110.553 179.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -67.53 -49.94 61.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 28.47 110.534 179.671 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 73' ' ' THR . . . . . 0.651 ' CG2' HD13 ' B' ' 58' ' ' LEU . 55.3 m -50.51 -58.72 5.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.115 -0.493 . . . . 21.82 110.789 179.785 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 74' ' ' LEU . . . . . 0.586 ' HA ' HD12 ' D' ' 77' ' ' LEU . 24.9 mt -50.73 -39.08 50.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.473 . . . . 21.0 110.915 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 75' ' ' LYS . . . . . . . . . . . . . 4.0 tttt -49.39 -46.91 47.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 27.09 110.836 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 76' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -75.58 -26.48 57.95 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.012 -0.54 . . . . 31.13 110.769 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 77' ' ' LEU . . . . . 0.586 HD12 ' HA ' ' D' ' 74' ' ' LEU . 42.7 mt -68.89 -49.57 57.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.066 -0.515 . . . . 30.39 110.99 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 78' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -73.63 -27.7 61.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.262 -0.426 . . . . 31.86 111.096 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.77 -48.36 78.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.44 . . . . 39.46 110.974 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 80' ' ' LYS . . . . . . . . . . . . . 1.1 mtpp -54.59 -65.68 0.53 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 39.73 110.775 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 81' ' ' THR . . . . . . . . . . . . . 3.9 t -74.34 70.24 1.67 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 39.37 110.892 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 82' ' ' THR . . . . . . . . . . . . . 9.0 t . . . . . 0 C--O 1.248 1.005 0 CA-C-O 118.254 -0.879 . . . . 46.52 110.936 -179.996 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.375 0 CA-C-O 120.801 0.334 . . . . 41.25 111.178 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.636 ' OD1' ' HB3' ' A' ' 55' ' ' ALA . 24.4 t-20 -130.1 122.48 28.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.246 -0.434 . . . . 38.53 111.003 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.425 ' HA ' ' HG2' ' A' ' 57' ' ' ARG . 9.0 t70 -71.99 -30.07 64.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.485 . . . . 37.09 110.88 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.636 ' HB3' ' OD1' ' A' ' 53' ' ' ASN . . . -61.57 -39.83 92.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.361 -0.381 . . . . 33.69 110.791 179.756 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -63.96 -56.95 11.44 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.147 -0.479 . . . . 29.12 110.585 179.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.425 ' HG2' ' HA ' ' A' ' 54' ' ' ASP . 15.0 ptt180 -62.89 -43.37 98.98 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.015 -0.539 . . . . 38.06 110.074 179.366 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.619 ' C ' HD13 ' A' ' 58' ' ' LEU . 2.1 tm? -60.49 -53.17 60.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.661 -0.7 . . . . 25.14 110.474 179.562 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.436 ' N ' HD13 ' A' ' 58' ' ' LEU . . . -57.8 -44.45 86.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.006 -0.543 . . . . 20.44 110.832 179.811 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.5 -34.37 61.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 20.03 110.582 179.799 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -70.59 -40.46 73.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.49 . . . . 22.23 110.632 179.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.443 ' HB2' ' CD1' ' B' ' 74' ' ' LEU . 0.8 OUTLIER -64.42 -42.88 95.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.037 -0.528 . . . . 24.87 110.537 179.693 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 13.5 m -59.1 -35.66 73.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.053 -0.521 . . . . 16.67 110.564 179.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.43 ' O ' ' HG2' ' A' ' 67' ' ' LYS . 6.2 mt-10 -61.67 -49.24 77.29 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.107 -0.497 . . . . 25.03 110.493 179.636 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 5.9 mt -54.46 -32.57 57.97 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.15 -0.477 . . . . 17.31 110.181 179.506 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 62' ' ' GLN . 38.9 t -76.16 -50.58 22.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.893 -0.594 . . . . 14.87 111.047 179.786 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.43 ' HG2' ' O ' ' A' ' 64' ' ' GLU . 1.1 pttm -57.96 -43.55 86.52 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.325 -0.398 . . . . 13.59 110.517 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 5.4 ttpt -58.93 -39.07 80.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 12.91 110.475 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 38.2 ttp -63.54 -47.38 81.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.009 -0.541 . . . . 7.56 110.482 179.511 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.454 HG13 ' HG ' ' A' ' 74' ' ' LEU . 64.8 t -65.02 -34.0 67.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.981 -0.554 . . . . 9.15 110.57 179.734 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.507 ' CZ ' ' HD3' ' A' ' 75' ' ' LYS . 28.5 t80 -59.28 -60.8 3.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.334 -0.394 . . . . 11.77 110.455 179.631 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -52.79 -40.95 63.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 11.0 110.36 179.611 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 21.4 m -66.9 -70.68 0.23 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.046 -0.524 . . . . 12.12 110.37 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.662 HD12 ' HB2' ' B' ' 62' ' ' GLN . 13.3 mt -50.78 -37.62 43.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.095 -0.502 . . . . 13.89 110.994 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.507 ' HD3' ' CZ ' ' A' ' 71' ' ' PHE . 9.6 tttt -53.99 -69.32 0.13 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.031 0.443 . . . . 12.95 110.174 179.491 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.57 -29.69 70.19 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.687 -0.688 . . . . 16.39 110.807 179.597 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.615 ' C ' HD12 ' A' ' 77' ' ' LEU . 0.6 OUTLIER -66.8 -67.48 0.45 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.196 -0.456 . . . . 20.84 110.645 -179.913 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.718 ' CE2' HG21 ' D' ' 73' ' ' THR . 20.5 m-30 -50.7 -25.8 4.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.414 -0.357 . . . . 24.33 110.855 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.88 -38.02 87.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 26.63 110.858 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 15.4 tttt -67.32 -33.07 74.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 27.23 110.873 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -58.83 -44.88 91.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 33.49 111.136 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.2 p . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.36 -0.829 . . . . 36.92 110.814 -179.852 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.773 0.321 . . . . 45.44 111.126 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -98.61 20.18 13.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.281 -0.418 . . . . 40.53 111.217 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -62.55 -25.56 68.11 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.907 0.384 . . . . 35.05 110.723 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -54.38 -45.24 72.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.094 -0.503 . . . . 31.51 110.957 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -62.01 -56.48 18.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 32.8 110.612 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 8.3 mtm180 -53.01 -30.99 38.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 28.84 110.498 179.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . 0.634 HD22 HG23 ' D' ' 73' ' ' THR . 15.8 mt -68.95 -58.88 3.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.907 -0.588 . . . . 23.09 110.781 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -48.09 -34.3 9.5 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.862 -0.608 . . . . 19.66 111.036 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -63.31 -45.63 90.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.081 -0.509 . . . . 17.5 110.635 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . 0.568 ' O ' HD12 ' B' ' 65' ' ' LEU . 3.1 mt-10 -63.51 -33.81 76.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.229 -0.441 . . . . 11.69 110.797 179.73 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . 0.662 ' HB2' HD12 ' A' ' 74' ' ' LEU . 3.5 mm-40 -74.2 -47.07 37.91 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.163 -0.471 . . . . 11.47 110.574 179.754 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -53.6 -59.11 5.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 16.92 110.657 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -51.91 -36.84 50.28 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 116.213 -0.448 . . . . 19.25 110.401 179.659 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . 0.568 HD12 ' O ' ' B' ' 61' ' ' GLU . 0.0 OUTLIER -64.56 -51.06 64.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.963 -0.562 . . . . 10.43 110.39 179.531 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . 0.657 HG23 ' O ' ' B' ' 62' ' ' GLN . 21.4 t -58.71 -31.74 44.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.187 -0.46 . . . . 8.48 110.731 179.497 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . 0.412 ' O ' ' N ' ' B' ' 71' ' ' PHE . 6.2 tttt -60.65 -59.14 5.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.989 -0.551 . . . . 15.44 110.975 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 68' ' ' LYS . . . . . 0.402 ' HG2' ' O ' ' B' ' 65' ' ' LEU . 1.2 ptmt -56.16 -29.87 61.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.811 0.339 . . . . 9.58 110.71 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 69' ' ' MET . . . . . 0.648 ' HE2' HG13 ' B' ' 66' ' ' VAL . 57.5 ttp -72.07 -50.92 24.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.132 -0.486 . . . . 10.77 110.651 179.768 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.488 HG13 ' OH ' ' C' ' 78' ' ' TYR . 60.8 t -76.63 -20.52 14.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 10.88 111.161 179.823 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.412 ' N ' ' O ' ' B' ' 67' ' ' LYS . 13.2 t80 -69.15 -43.03 75.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.234 -0.439 . . . . 18.24 110.638 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -69.3 -41.09 77.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.496 . . . . 23.79 110.625 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 73' ' ' THR . . . . . 0.776 HG23 HD22 ' D' ' 58' ' ' LEU . 89.2 m -52.63 -59.28 4.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 23.0 110.614 179.795 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 74' ' ' LEU . . . . . 0.73 HD23 HD12 ' B' ' 77' ' ' LEU . 55.2 mt -52.27 -35.5 50.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 27.45 110.673 179.759 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -52.34 -43.5 64.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 29.7 110.475 179.832 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 76' ' ' ASP . . . . . 0.439 ' HA ' ' CG ' ' B' ' 79' ' ' LYS . 30.2 m-20 -76.38 -29.47 57.15 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.938 -0.574 . . . . 29.38 110.597 179.642 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.73 HD12 HD23 ' B' ' 74' ' ' LEU . 20.8 mt -66.93 -37.2 83.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.993 -0.548 . . . . 28.96 110.949 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 78' ' ' TYR . . . . . 0.412 ' CE1' HD12 ' A' ' 58' ' ' LEU . 1.6 m-85 -82.44 -59.98 2.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 35.22 111.068 -179.812 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 79' ' ' LYS . . . . . 0.439 ' CG ' ' HA ' ' B' ' 76' ' ' ASP . 0.0 OUTLIER -50.89 -26.03 5.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.283 -0.417 . . . . 41.67 110.878 -179.86 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.06 -22.8 17.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.25 -0.432 . . . . 43.57 110.99 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . 0.467 HG23 ' O ' ' B' ' 81' ' ' THR . 14.5 t -168.23 44.35 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.383 -0.371 . . . . 42.44 110.964 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 2.2 t . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.186 -0.911 . . . . 49.32 110.955 179.951 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.773 0.32 . . . . 43.69 111.206 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 53' ' ' ASN . . . . . 0.642 ' OD1' ' HB3' ' C' ' 55' ' ' ALA . 24.4 t-20 -130.12 122.26 27.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 35.21 110.991 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 54' ' ' ASP . . . . . 0.427 ' O ' ' CB ' ' C' ' 58' ' ' LEU . 9.1 t70 -71.79 -30.12 65.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 38.87 110.878 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 55' ' ' ALA . . . . . 0.642 ' HB3' ' OD1' ' C' ' 53' ' ' ASN . . . -61.65 -39.68 92.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.315 -0.402 . . . . 30.68 110.854 179.792 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -63.96 -57.12 10.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 27.16 110.526 179.581 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 57' ' ' ARG . . . . . 0.419 ' HG2' ' HA ' ' C' ' 54' ' ' ASP . 15.0 ptt180 -62.79 -43.54 98.52 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.055 -0.521 . . . . 28.99 110.041 179.42 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 58' ' ' LEU . . . . . 0.617 HD13 ' C ' ' C' ' 58' ' ' LEU . 2.1 tm? -60.35 -53.05 62.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.653 -0.703 . . . . 29.7 110.526 179.523 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 59' ' ' ALA . . . . . 0.424 ' N ' HD13 ' C' ' 58' ' ' LEU . . . -57.6 -44.86 85.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.093 -0.503 . . . . 25.29 110.786 179.693 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.32 -34.4 60.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 24.76 110.655 179.808 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -70.52 -40.43 73.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 26.82 110.616 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 62' ' ' GLN . . . . . 0.441 ' O ' HG23 ' C' ' 66' ' ' VAL . 0.8 OUTLIER -64.54 -42.54 95.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.082 -0.508 . . . . 18.85 110.546 179.742 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 63' ' ' SER . . . . . . . . . . . . . 13.7 m -59.53 -35.47 74.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.062 -0.517 . . . . 16.15 110.542 179.739 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 64' ' ' GLU . . . . . 0.426 ' O ' ' HG2' ' C' ' 67' ' ' LYS . 6.2 mt-10 -61.79 -49.26 77.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.175 -0.466 . . . . 18.03 110.506 179.567 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 65' ' ' LEU . . . . . . . . . . . . . 6.0 mt -54.46 -32.56 57.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.086 -0.506 . . . . 18.19 110.186 179.521 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 66' ' ' VAL . . . . . 0.441 HG23 ' O ' ' C' ' 62' ' ' GLN . 38.9 t -76.17 -50.7 21.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.819 -0.628 . . . . 9.98 111.069 179.754 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 67' ' ' LYS . . . . . 0.426 ' HG2' ' O ' ' C' ' 64' ' ' GLU . 1.0 OUTLIER -57.82 -43.47 85.75 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.32 -0.4 . . . . 16.63 110.602 179.922 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 68' ' ' LYS . . . . . . . . . . . . . 5.3 ttpt -58.99 -39.11 80.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.018 -0.537 . . . . 22.57 110.448 179.581 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 69' ' ' MET . . . . . . . . . . . . . 38.1 ttp -63.62 -47.34 81.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.068 -0.514 . . . . 8.89 110.446 179.548 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 70' ' ' VAL . . . . . 0.459 HG13 ' HG ' ' C' ' 74' ' ' LEU . 72.1 t -65.13 -34.17 68.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.085 -0.507 . . . . 6.84 110.705 179.625 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 71' ' ' PHE . . . . . 0.498 ' CZ ' ' HD3' ' C' ' 75' ' ' LYS . 28.4 t80 -58.85 -60.9 3.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.26 -0.427 . . . . 18.23 110.357 179.63 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -52.8 -40.93 63.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.291 -0.413 . . . . 12.0 110.434 179.635 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 73' ' ' THR . . . . . . . . . . . . . 21.2 m -66.92 -70.54 0.24 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.011 -0.541 . . . . 11.18 110.471 179.647 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 74' ' ' LEU . . . . . 0.731 HD12 ' HB2' ' D' ' 62' ' ' GLN . 13.5 mt -50.96 -37.44 44.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.064 -0.516 . . . . 18.34 111.077 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 75' ' ' LYS . . . . . 0.498 ' HD3' ' CZ ' ' C' ' 71' ' ' PHE . 9.6 tttt -54.2 -68.98 0.14 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 20.12 110.221 179.46 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 76' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.77 -29.61 70.25 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.708 -0.678 . . . . 16.79 110.811 179.579 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 77' ' ' LEU . . . . . 0.613 HD12 ' C ' ' C' ' 77' ' ' LEU . 0.6 OUTLIER -66.81 -67.4 0.45 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.229 -0.441 . . . . 19.72 110.72 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 78' ' ' TYR . . . . . 0.766 ' CE2' HG21 ' B' ' 73' ' ' THR . 20.5 m-30 -50.72 -25.95 4.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.462 -0.335 . . . . 26.61 110.804 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.71 -38.15 88.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.297 -0.41 . . . . 27.85 110.896 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 15.2 tttt -67.21 -33.3 75.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.146 -0.479 . . . . 31.62 110.88 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 81' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -58.59 -45.13 89.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 35.19 111.182 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 82' ' ' THR . . . . . . . . . . . . . 2.2 p . . . . . 0 C--O 1.25 1.109 0 CA-C-O 118.329 -0.843 . . . . 41.29 110.883 -179.871 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.415 0 CA-C-O 120.741 0.305 . . . . 41.78 111.145 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -98.54 20.17 13.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 40.13 111.202 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -62.44 -25.54 68.03 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.88 0.372 . . . . 33.59 110.837 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 55' ' ' ALA . . . . . . . . . . . . . . . -54.41 -45.14 72.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.495 . . . . 31.96 111.031 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -62.05 -56.51 18.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 30.96 110.69 179.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 57' ' ' ARG . . . . . . . . . . . . . 8.3 mtm180 -53.07 -30.9 38.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 23.23 110.481 179.708 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 58' ' ' LEU . . . . . 0.776 HD22 HG23 ' B' ' 73' ' ' THR . 15.6 mt -69.13 -58.52 3.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.865 -0.607 . . . . 18.78 110.887 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 59' ' ' ALA . . . . . . . . . . . . . . . -48.53 -34.05 10.63 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.872 -0.604 . . . . 18.71 111.084 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 60' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -63.45 -45.83 89.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.11 -0.495 . . . . 23.71 110.68 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 61' ' ' GLU . . . . . 0.581 ' O ' HD12 ' D' ' 65' ' ' LEU . 3.1 mt-10 -63.2 -33.85 76.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 16.83 110.857 179.811 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 62' ' ' GLN . . . . . 0.731 ' HB2' HD12 ' C' ' 74' ' ' LEU . 3.4 mm-40 -74.55 -46.87 36.15 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.187 -0.46 . . . . 14.78 110.681 179.791 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 63' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -53.55 -58.53 6.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 12.98 110.514 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 64' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -52.26 -36.88 53.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 7.85 110.417 179.601 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 65' ' ' LEU . . . . . 0.581 HD12 ' O ' ' D' ' 61' ' ' GLU . 0.0 OUTLIER -64.46 -51.03 65.12 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.014 -0.539 . . . . 5.8 110.376 179.488 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' D' D ' 66' ' ' VAL . . . . . 0.656 HG13 ' HE2' ' D' ' 69' ' ' MET . 21.5 t -58.72 -31.89 45.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.489 . . . . 5.91 110.576 179.641 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 67' ' ' LYS . . . . . 0.401 ' O ' ' N ' ' D' ' 71' ' ' PHE . 6.2 tttt -60.78 -58.97 6.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.927 -0.578 . . . . 14.76 110.933 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 68' ' ' LYS . . . . . 0.41 ' HG2' ' O ' ' D' ' 65' ' ' LEU . 1.2 ptmt -56.22 -29.87 61.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.874 0.368 . . . . 14.01 110.786 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 69' ' ' MET . . . . . 0.656 ' HE2' HG13 ' D' ' 66' ' ' VAL . 57.7 ttp -72.1 -50.87 24.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 12.71 110.653 179.811 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 70' ' ' VAL . . . . . 0.506 HG13 ' OH ' ' A' ' 78' ' ' TYR . 58.8 t -77.13 -19.89 14.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 14.98 111.187 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 71' ' ' PHE . . . . . 0.401 ' N ' ' O ' ' D' ' 67' ' ' LYS . 13.1 t80 -69.57 -43.06 73.66 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.329 -0.396 . . . . 24.46 110.583 179.689 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -69.14 -41.19 77.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.078 -0.51 . . . . 28.29 110.583 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 73' ' ' THR . . . . . 0.718 HG21 ' CE2' ' A' ' 78' ' ' TYR . 87.9 m -52.45 -59.6 4.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 22.5 110.62 179.793 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 74' ' ' LEU . . . . . 0.704 HD23 HD12 ' D' ' 77' ' ' LEU . 56.4 mt -52.02 -35.68 47.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 21.06 110.708 179.725 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 75' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -52.08 -43.62 63.94 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.214 -0.448 . . . . 26.25 110.492 179.764 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 76' ' ' ASP . . . . . 0.44 ' HA ' ' CG ' ' D' ' 79' ' ' LYS . 30.2 m-20 -76.36 -29.62 57.26 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.012 -0.54 . . . . 30.62 110.51 179.728 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 77' ' ' LEU . . . . . 0.704 HD12 HD23 ' D' ' 74' ' ' LEU . 21.0 mt -66.81 -37.22 84.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.07 -0.514 . . . . 30.32 110.941 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 78' ' ' TYR . . . . . 0.447 ' CE1' HD12 ' C' ' 58' ' ' LEU . 1.6 m-85 -82.21 -60.15 2.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 31.98 111.055 -179.784 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 79' ' ' LYS . . . . . 0.44 ' CG ' ' HA ' ' D' ' 76' ' ' ASP . 0.0 OUTLIER -50.83 -26.09 5.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 40.74 111.014 -179.907 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' D' D ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.01 -22.81 16.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 39.42 111.005 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 81' ' ' THR . . . . . 0.455 HG23 ' O ' ' D' ' 81' ' ' THR . 14.5 t -168.28 44.55 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.361 -0.381 . . . . 40.8 110.866 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 82' ' ' THR . . . . . . . . . . . . . 2.2 t . . . . . 0 C--O 1.248 0.991 0 CA-C-O 118.243 -0.884 . . . . 45.88 110.869 179.951 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.3 ttt85 . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.808 0.337 . . . . 46.78 111.158 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -132.41 96.04 3.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 36.22 110.902 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.431 ' O ' ' CB ' ' A' ' 58' ' ' LEU . 0.5 OUTLIER -77.21 -25.41 51.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.122 -0.49 . . . . 37.49 110.885 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.77 -39.89 93.24 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.421 -0.354 . . . . 30.62 110.891 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -61.06 -57.11 13.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.222 -0.445 . . . . 27.38 110.6 179.737 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 1.2 mtm180 -65.74 -47.66 74.51 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.006 -0.543 . . . . 26.61 110.341 179.542 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.632 ' C ' HD13 ' A' ' 58' ' ' LEU . 2.4 tm? -54.3 -41.56 69.09 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.67 -0.695 . . . . 27.67 110.726 179.613 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.13 -40.68 86.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.059 -0.519 . . . . 24.99 111.056 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 58.4 t0 -58.48 -34.82 71.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 26.74 110.823 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -61.41 -56.34 21.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 26.78 110.83 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.416 ' HB2' ' CD1' ' B' ' 74' ' ' LEU . 6.3 mp0 -51.66 -39.01 57.39 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.006 -0.543 . . . . 19.87 110.698 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.59 -44.17 91.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.12 -0.491 . . . . 16.03 110.652 179.746 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.412 ' O ' ' HG2' ' A' ' 67' ' ' LYS . 0.1 OUTLIER -60.99 -20.43 62.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.467 . . . . 17.92 110.872 179.773 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.4 mt -78.92 -36.92 41.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.968 0.413 . . . . 15.66 110.204 179.458 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.418 ' O ' HG23 ' A' ' 70' ' ' VAL . 46.6 t -73.94 -40.02 52.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.898 -0.592 . . . . 10.09 110.75 179.463 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.437 ' CG ' ' N ' ' A' ' 68' ' ' LYS . 18.8 ptmt -64.94 -49.74 69.18 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.091 -0.504 . . . . 18.48 110.594 179.785 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.437 ' N ' ' CG ' ' A' ' 67' ' ' LYS . 0.0 OUTLIER -62.89 -34.61 77.76 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.134 -0.485 . . . . 21.81 110.25 179.583 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 7.3 tmm? -69.61 -45.67 68.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.805 -0.634 . . . . 8.59 110.257 179.45 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 66' ' ' VAL . 45.2 t -66.09 -35.07 74.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.031 -0.532 . . . . 4.96 110.5 179.618 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.479 ' CZ ' ' HE2' ' A' ' 75' ' ' LYS . 65.0 t80 -52.76 -60.36 3.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.288 -0.415 . . . . 14.92 110.404 179.662 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.59 -49.89 61.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 7.97 110.783 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.412 HG21 ' CE ' ' C' ' 69' ' ' MET . 19.8 m -57.62 -71.45 0.1 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.318 -0.401 . . . . 12.94 110.198 179.647 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.654 HD12 ' HB2' ' B' ' 62' ' ' GLN . 14.3 mt -49.7 -35.6 22.39 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.132 -0.485 . . . . 18.81 110.872 179.804 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.479 ' HE2' ' CZ ' ' A' ' 71' ' ' PHE . 6.6 ttmm -55.23 -67.72 0.25 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.021 -0.536 . . . . 22.04 110.204 179.544 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.63 -31.5 72.69 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.601 -0.727 . . . . 15.24 110.908 179.676 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.575 ' O ' HD12 ' A' ' 77' ' ' LEU . 1.1 tp -64.68 -60.32 3.24 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.396 -0.365 . . . . 19.34 110.75 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.553 ' CZ ' HG21 ' D' ' 73' ' ' THR . 22.0 m-30 -57.3 -23.8 50.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.357 -0.383 . . . . 25.69 110.762 179.625 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 24.7 mttt -69.48 -30.11 67.92 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.245 -0.434 . . . . 27.11 110.791 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -60.53 -26.54 66.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.245 -0.434 . . . . 30.08 110.864 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.526 HG22 ' CZ ' ' D' ' 78' ' ' TYR . 23.1 p -83.95 -60.36 2.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 34.62 110.872 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.61 HG23 ' OXT' ' A' ' 82' ' ' THR . 7.0 t . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.3 -0.857 . . . . 39.77 110.887 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 28.7 mmm180 . . . . . 0 N--CA 1.486 1.331 0 CA-C-O 120.836 0.351 . . . . 45.29 111.227 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 53' ' ' ASN . . . . . 0.675 ' ND2' ' HB3' ' B' ' 55' ' ' ALA . 0.4 OUTLIER -51.38 166.95 0.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 40.99 110.935 -179.943 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . 0.402 ' HA ' ' HG2' ' B' ' 57' ' ' ARG . 31.1 m-20 -63.99 -23.87 67.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 34.51 111.06 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 55' ' ' ALA . . . . . 0.675 ' HB3' ' ND2' ' B' ' 53' ' ' ASN . . . -52.54 -36.65 56.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.283 -0.417 . . . . 33.12 111.191 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.59 -59.72 3.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.293 -0.412 . . . . 31.33 110.862 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 57' ' ' ARG . . . . . 0.439 ' HG3' ' N ' ' B' ' 58' ' ' LEU . 0.0 OUTLIER -50.8 -30.78 15.1 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.302 -0.408 . . . . 23.7 110.713 179.925 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . 0.846 HD22 HG23 ' D' ' 73' ' ' THR . 4.2 mt -72.13 -62.71 1.33 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.108 -0.496 . . . . 18.69 110.816 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -44.89 -29.97 0.91 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.983 -0.553 . . . . 18.5 111.051 179.731 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -70.97 -41.91 70.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.985 -0.552 . . . . 22.38 110.224 179.364 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . 0.727 ' O ' HD12 ' B' ' 65' ' ' LEU . 0.6 OUTLIER -66.98 -31.36 71.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.971 -0.559 . . . . 16.49 110.404 179.523 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . 0.654 ' HB2' HD12 ' A' ' 74' ' ' LEU . 12.4 mm-40 -72.85 -47.52 45.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.958 -0.565 . . . . 15.19 110.575 179.796 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.12 -60.5 3.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.481 . . . . 13.01 110.589 179.754 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -53.15 -31.82 44.48 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 116.253 -0.43 . . . . 10.77 110.346 179.599 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . 0.727 HD12 ' O ' ' B' ' 61' ' ' GLU . 0.1 OUTLIER -71.18 -50.57 31.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.985 -0.552 . . . . 5.2 110.295 179.522 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . 0.468 HG23 ' O ' ' B' ' 62' ' ' GLN . 59.3 t -63.63 -32.28 56.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.185 -0.461 . . . . 6.98 110.846 179.612 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . 0.408 ' HB2' ' HB3' ' A' ' 67' ' ' LYS . 22.6 tttt -64.07 -53.64 46.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.1 -0.5 . . . . 18.16 110.954 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 15.8 mttt -57.35 -33.01 67.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.458 . . . . 18.65 110.742 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 69' ' ' MET . . . . . . . . . . . . . 28.7 ttp -69.96 -49.64 49.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 12.7 110.797 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.417 HG13 ' CE1' ' C' ' 78' ' ' TYR . 95.7 t -74.95 -22.73 17.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 15.14 111.062 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -63.41 -45.2 92.11 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.414 -0.357 . . . . 24.68 110.591 179.669 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.76 -45.04 76.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.064 -0.517 . . . . 27.81 110.773 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 73' ' ' THR . . . . . 0.833 HG23 HD22 ' D' ' 58' ' ' LEU . 54.4 m -49.97 -54.65 18.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.231 -0.441 . . . . 20.68 110.852 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 74' ' ' LEU . . . . . 0.88 HD23 HD12 ' B' ' 77' ' ' LEU . 41.3 mt -54.19 -40.3 67.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 21.12 110.841 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.34 -47.3 62.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.448 . . . . 27.77 110.655 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -72.23 -31.07 65.5 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.989 -0.551 . . . . 31.16 110.555 179.707 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.88 HD12 HD23 ' B' ' 74' ' ' LEU . 25.3 mt -62.64 -48.97 77.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.944 -0.571 . . . . 30.46 110.746 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 78' ' ' TYR . . . . . 0.453 ' CZ ' HG22 ' C' ' 81' ' ' THR . 54.9 m-85 -79.83 -28.31 40.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.064 -0.517 . . . . 32.77 110.874 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.12 -20.38 62.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.059 -0.519 . . . . 38.31 111.16 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.57 -26.76 65.56 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.463 -0.335 . . . . 41.26 111.263 -179.81 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 1.8 t -145.01 89.41 1.96 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.375 -0.375 . . . . 40.98 111.078 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 13.6 t . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.175 -0.917 . . . . 47.59 110.893 179.931 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 52' ' ' ARG . . . . . . . . . . . . . 2.4 ttt85 . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.775 0.322 . . . . 44.89 111.181 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -132.45 96.14 3.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 40.62 110.845 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 54' ' ' ASP . . . . . 0.424 ' O ' ' CB ' ' C' ' 58' ' ' LEU . 0.5 OUTLIER -77.31 -25.24 51.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 39.16 110.904 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.97 -39.84 93.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.37 -0.377 . . . . 35.05 110.853 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -61.0 -57.26 13.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 30.09 110.579 179.726 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 57' ' ' ARG . . . . . . . . . . . . . 1.2 mtm180 -65.7 -47.54 75.07 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.001 -0.545 . . . . 38.13 110.295 179.605 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 58' ' ' LEU . . . . . 0.623 HD13 ' C ' ' C' ' 58' ' ' LEU . 2.4 tm? -54.36 -41.83 69.58 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.677 -0.692 . . . . 27.88 110.69 179.609 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.88 -40.78 85.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.058 -0.519 . . . . 21.05 111.06 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 58.2 t0 -58.51 -34.57 71.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.236 -0.438 . . . . 18.13 110.828 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -61.63 -56.32 21.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 20.14 110.812 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 62' ' ' GLN . . . . . 0.414 ' N ' ' OE1' ' C' ' 62' ' ' GLN . 6.3 mp0 -51.57 -39.02 57.07 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.025 -0.534 . . . . 23.8 110.697 179.814 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 63' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.74 -44.05 91.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.112 -0.494 . . . . 18.02 110.689 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 64' ' ' GLU . . . . . 0.417 ' O ' ' HG2' ' C' ' 67' ' ' LYS . 0.1 OUTLIER -60.96 -20.5 62.38 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.138 -0.483 . . . . 25.02 110.899 179.762 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' C' C ' 65' ' ' LEU . . . . . . . . . . . . . 3.3 mt -78.9 -36.61 41.75 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.962 0.411 . . . . 18.51 110.244 179.534 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 66' ' ' VAL . . . . . 0.427 ' O ' HG23 ' C' ' 70' ' ' VAL . 46.3 t -74.31 -39.94 49.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.95 -0.568 . . . . 14.56 110.729 179.492 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 67' ' ' LYS . . . . . 0.441 ' CG ' ' N ' ' C' ' 68' ' ' LYS . 18.8 ptmt -64.91 -49.56 69.96 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.071 -0.513 . . . . 9.08 110.571 179.759 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 68' ' ' LYS . . . . . 0.441 ' N ' ' CG ' ' C' ' 67' ' ' LYS . 0.0 OUTLIER -63.1 -34.71 78.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.112 -0.494 . . . . 13.43 110.155 179.604 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' C' C ' 69' ' ' MET . . . . . 0.412 ' CE ' HG21 ' A' ' 73' ' ' THR . 7.3 tmm? -69.51 -45.96 67.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.86 -0.609 . . . . 8.97 110.242 179.462 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 70' ' ' VAL . . . . . 0.427 HG23 ' O ' ' C' ' 66' ' ' VAL . 46.2 t -65.81 -35.22 74.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.967 -0.56 . . . . 9.34 110.49 179.595 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 71' ' ' PHE . . . . . 0.47 ' CZ ' ' HE2' ' C' ' 75' ' ' LYS . 64.9 t80 -52.64 -60.45 3.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.275 -0.42 . . . . 15.68 110.415 179.68 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.52 -49.82 61.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.282 -0.417 . . . . 14.1 110.697 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 73' ' ' THR . . . . . . . . . . . . . 19.7 m -57.74 -71.55 0.1 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.383 -0.372 . . . . 10.27 110.191 179.715 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 74' ' ' LEU . . . . . 0.709 HD12 ' HB2' ' D' ' 62' ' ' GLN . 14.5 mt -49.65 -35.31 20.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.131 -0.486 . . . . 12.88 110.899 179.801 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 75' ' ' LYS . . . . . 0.47 ' HE2' ' CZ ' ' C' ' 71' ' ' PHE . 6.6 ttmm -55.53 -67.87 0.25 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.074 -0.512 . . . . 14.79 110.167 179.436 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 76' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.41 -31.6 72.8 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.625 -0.716 . . . . 17.98 110.926 179.687 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 77' ' ' LEU . . . . . 0.571 ' O ' HD12 ' C' ' 77' ' ' LEU . 1.1 tp -64.59 -60.24 3.35 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.307 -0.406 . . . . 21.17 110.751 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 78' ' ' TYR . . . . . 0.637 ' CZ ' HG21 ' B' ' 73' ' ' THR . 22.0 m-30 -57.5 -23.59 51.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.336 -0.393 . . . . 26.13 110.74 179.691 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 24.7 mttt -69.59 -30.08 67.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.304 -0.407 . . . . 23.96 110.796 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -60.63 -26.4 67.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.213 -0.449 . . . . 29.34 110.911 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 81' ' ' THR . . . . . 0.537 ' OG1' HD22 ' B' ' 77' ' ' LEU . 23.4 p -84.02 -60.29 2.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 33.22 110.872 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 82' ' ' THR . . . . . 0.612 HG23 ' OXT' ' C' ' 82' ' ' THR . 7.0 t . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.229 -0.891 . . . . 38.01 110.924 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 52' ' ' ARG . . . . . . . . . . . . . 28.7 mmm180 . . . . . 0 N--CA 1.487 1.391 0 CA-C-O 120.809 0.338 . . . . 47.19 111.217 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' D' D ' 53' ' ' ASN . . . . . 0.671 ' ND2' ' HB3' ' D' ' 55' ' ' ALA . 0.4 OUTLIER -51.13 167.08 0.08 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 39.61 110.984 -179.942 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -64.1 -23.95 67.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 33.48 110.992 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 55' ' ' ALA . . . . . 0.671 ' HB3' ' ND2' ' D' ' 53' ' ' ASN . . . -52.56 -36.59 56.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.304 -0.407 . . . . 29.77 111.192 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.58 -59.86 3.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 33.72 110.871 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 57' ' ' ARG . . . . . 0.438 ' HG3' ' N ' ' D' ' 58' ' ' LEU . 0.0 OUTLIER -50.81 -30.77 15.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.266 -0.424 . . . . 25.7 110.754 179.913 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' D' D ' 58' ' ' LEU . . . . . 0.833 HD22 HG23 ' B' ' 73' ' ' THR . 4.2 mt -72.28 -61.9 1.63 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.063 -0.517 . . . . 22.49 110.808 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 59' ' ' ALA . . . . . . . . . . . . . . . -45.61 -29.95 1.37 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.993 -0.549 . . . . 20.24 111.058 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 60' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -71.05 -41.66 70.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.972 -0.558 . . . . 18.72 110.239 179.425 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 61' ' ' GLU . . . . . 0.725 ' O ' HD12 ' D' ' 65' ' ' LEU . 0.6 OUTLIER -67.07 -31.25 71.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.011 -0.541 . . . . 12.14 110.484 179.548 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' D' D ' 62' ' ' GLN . . . . . 0.709 ' HB2' HD12 ' C' ' 74' ' ' LEU . 12.4 mm-40 -72.92 -47.74 43.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.927 -0.578 . . . . 10.86 110.624 179.699 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 63' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.84 -60.45 3.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 16.52 110.573 179.735 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 64' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -53.18 -31.85 44.86 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 116.279 -0.419 . . . . 17.91 110.376 179.626 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 65' ' ' LEU . . . . . 0.725 HD12 ' O ' ' D' ' 61' ' ' GLU . 0.1 OUTLIER -71.17 -50.29 34.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.961 -0.563 . . . . 10.48 110.414 179.472 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' D' D ' 66' ' ' VAL . . . . . 0.466 HG23 ' O ' ' D' ' 62' ' ' GLN . 58.9 t -63.89 -32.3 56.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.117 -0.492 . . . . 7.95 110.793 179.622 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 67' ' ' LYS . . . . . 0.415 ' HB2' ' HB3' ' C' ' 67' ' ' LYS . 22.7 tttt -64.01 -53.79 44.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.013 -0.539 . . . . 11.76 110.898 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 68' ' ' LYS . . . . . . . . . . . . . 15.9 mttt -57.33 -32.89 67.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 10.29 110.764 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 69' ' ' MET . . . . . . . . . . . . . 28.4 ttp -70.05 -49.66 49.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 10.96 110.759 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 70' ' ' VAL . . . . . 0.478 HG13 ' CE1' ' A' ' 78' ' ' TYR . 96.8 t -74.79 -22.94 17.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.057 -0.519 . . . . 10.62 111.034 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -63.23 -45.25 92.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.342 -0.39 . . . . 17.69 110.677 179.662 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.74 -45.08 76.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 24.27 110.786 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 73' ' ' THR . . . . . 0.846 HG23 HD22 ' B' ' 58' ' ' LEU . 54.0 m -49.91 -54.7 18.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 24.25 110.885 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 74' ' ' LEU . . . . . 0.874 HD23 HD12 ' D' ' 77' ' ' LEU . 41.5 mt -54.07 -40.43 67.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 27.11 110.835 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.25 -47.21 62.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 27.92 110.715 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 76' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -72.32 -31.22 65.49 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.947 -0.57 . . . . 28.07 110.535 179.686 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 77' ' ' LEU . . . . . 0.874 HD12 HD23 ' D' ' 74' ' ' LEU . 25.5 mt -62.36 -49.18 76.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.959 -0.564 . . . . 28.71 110.775 179.793 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 78' ' ' TYR . . . . . 0.526 ' CZ ' HG22 ' A' ' 81' ' ' THR . 54.9 m-85 -79.8 -28.22 40.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.065 -0.516 . . . . 34.02 110.855 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.18 -20.26 62.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.036 -0.529 . . . . 41.81 111.24 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.71 -26.58 65.34 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.425 -0.352 . . . . 42.13 111.212 -179.8 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 81' ' ' THR . . . . . . . . . . . . . 1.8 t -145.14 89.35 1.94 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.862 0.363 . . . . 41.44 111.064 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 82' ' ' THR . . . . . . . . . . . . . 13.6 t . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.246 -0.883 . . . . 48.98 110.887 179.941 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 11.9 ptt180 . . . . . 0 N--CA 1.487 1.411 0 CA-C-O 120.794 0.331 . . . . 43.18 111.131 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -82.4 58.28 4.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 39.58 110.972 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.424 ' O ' ' CB ' ' A' ' 58' ' ' LEU . 6.9 m-20 -55.08 -25.71 33.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.25 -0.432 . . . . 37.19 110.858 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.02 -41.48 98.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 34.04 110.562 179.727 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -62.41 -57.73 10.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.1 -0.5 . . . . 29.39 110.483 179.612 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 15.3 ptp180 -61.44 -44.76 96.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.953 -0.567 . . . . 35.37 110.175 179.406 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.623 ' C ' HD13 ' A' ' 58' ' ' LEU . 1.6 tm? -58.68 -44.97 90.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.651 -0.704 . . . . 24.77 110.471 179.496 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -55.78 -37.26 68.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.973 -0.558 . . . . 20.78 110.856 179.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -62.13 -38.28 88.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.036 -0.529 . . . . 21.17 110.643 179.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 56.1 tt0 -55.44 -63.93 1.01 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.489 . . . . 23.16 110.735 179.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.431 ' N ' ' OE1' ' A' ' 62' ' ' GLN . 0.1 OUTLIER -50.76 -38.69 49.37 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.005 -0.543 . . . . 25.12 110.808 179.797 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.411 ' HB3' ' HG2' ' B' ' 67' ' ' LYS . 4.9 m -59.5 -30.76 68.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 16.8 110.628 179.737 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.03 -38.98 66.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.078 -0.51 . . . . 24.63 110.707 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 23.8 mt -56.76 -41.19 77.16 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.097 -0.501 . . . . 15.96 110.74 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 62.0 t -67.97 -49.27 69.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.055 -0.521 . . . . 14.19 111.01 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.9 tttm -55.41 -51.03 68.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 14.35 110.608 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -54.3 -39.3 66.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 11.89 110.579 179.676 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.662 ' HE2' HG21 ' C' ' 73' ' ' THR . 53.9 ttp -65.59 -40.69 92.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 7.44 110.568 179.754 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.459 HG13 ' HG ' ' A' ' 74' ' ' LEU . 73.5 t -71.17 -41.52 75.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.029 -0.532 . . . . 8.9 110.837 179.755 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.498 ' CZ ' ' HD3' ' A' ' 75' ' ' LYS . 19.6 t80 -51.95 -60.77 2.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.34 -0.391 . . . . 9.15 110.591 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -52.23 -45.73 65.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 11.38 110.771 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.65 HG21 ' HE2' ' C' ' 69' ' ' MET . 18.5 m -64.2 -69.3 0.29 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.354 -0.384 . . . . 13.3 110.356 179.714 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.47 ' CD1' ' CB ' ' B' ' 62' ' ' GLN . 14.8 mt -50.37 -36.09 31.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 14.76 110.961 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.498 ' HD3' ' CZ ' ' A' ' 71' ' ' PHE . 7.8 tttp -55.46 -67.6 0.27 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.121 0.486 . . . . 13.24 110.107 179.408 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.51 -32.03 72.88 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.543 -0.753 . . . . 16.39 110.842 179.59 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.548 ' C ' HD12 ' A' ' 77' ' ' LEU . 1.2 tp -65.58 -65.04 0.73 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.329 -0.396 . . . . 21.23 110.629 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.645 ' OH ' HG13 ' D' ' 70' ' ' VAL . 22.7 m-30 -55.85 -24.63 37.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 23.58 110.759 179.67 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.09 -27.72 64.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.311 -0.404 . . . . 28.75 110.47 179.661 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.46 -41.77 96.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.106 -0.497 . . . . 27.54 110.687 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 70.9 p -60.34 -77.66 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.035 -0.53 . . . . 33.04 110.764 179.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.8 t . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.249 -0.881 . . . . 37.16 110.834 179.866 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.798 0.332 . . . . 45.75 111.215 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 53' ' ' ASN . . . . . 0.583 ' OD1' ' HB3' ' B' ' 55' ' ' ALA . 2.8 p30 -162.27 176.66 10.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 39.41 110.913 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -54.65 -42.24 71.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 33.76 110.949 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 55' ' ' ALA . . . . . 0.583 ' HB3' ' OD1' ' B' ' 53' ' ' ASN . . . -51.58 -38.02 52.49 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.079 -0.509 . . . . 31.2 111.022 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.53 -52.21 23.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 29.52 110.837 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 17.7 mtt180 -57.79 -26.67 62.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 30.76 110.684 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . 0.879 HD13 ' CG2' ' D' ' 73' ' ' THR . 24.8 mt -76.21 -51.95 11.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.112 -0.495 . . . . 21.88 110.886 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.08 -50.52 72.53 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.991 -0.549 . . . . 18.8 110.954 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -59.57 -51.23 70.71 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.175 -0.466 . . . . 18.15 110.882 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . 0.405 ' O ' ' HG2' ' B' ' 64' ' ' GLU . 21.6 tp10 -58.27 -36.67 73.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 11.5 110.727 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . 0.515 ' O ' HG23 ' B' ' 66' ' ' VAL . 0.1 OUTLIER -73.93 -49.46 24.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.986 -0.552 . . . . 11.24 110.891 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 1.5 m -58.71 -55.63 32.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.891 0.377 . . . . 16.65 110.349 179.615 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . 0.439 ' HG3' ' N ' ' B' ' 65' ' ' LEU . 10.4 pt-20 -48.2 -37.71 16.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.079 -0.509 . . . . 19.04 110.685 179.567 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . 0.439 ' N ' ' HG3' ' B' ' 64' ' ' GLU . 0.1 OUTLIER -63.03 -40.39 97.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.93 -0.577 . . . . 9.51 110.594 179.657 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . 0.515 HG23 ' O ' ' B' ' 62' ' ' GLN . 3.5 t -64.19 -38.64 83.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.092 -0.504 . . . . 8.48 110.95 179.801 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . 0.411 ' HG2' ' HB3' ' A' ' 63' ' ' SER . 0.0 OUTLIER -54.99 -63.8 1.04 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.048 -0.524 . . . . 17.23 110.735 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 1.3 ttmp? -50.82 -32.33 19.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.279 -0.419 . . . . 9.62 110.638 179.751 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 69' ' ' MET . . . . . 0.452 ' HE2' HG13 ' B' ' 66' ' ' VAL . 26.4 ttp -68.28 -53.16 26.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.009 -0.541 . . . . 10.98 110.653 179.719 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.72 HG13 ' OH ' ' C' ' 78' ' ' TYR . 58.9 t -69.98 -25.13 27.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 11.7 110.842 179.756 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -59.81 -45.9 90.9 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.125 -0.489 . . . . 18.62 110.669 179.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.71 -46.36 79.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.12 -0.491 . . . . 24.11 110.676 179.752 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 73' ' ' THR . . . . . 0.88 ' CG2' HD13 ' D' ' 58' ' ' LEU . 96.5 m -51.84 -60.79 2.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 22.07 110.82 179.788 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 74' ' ' LEU . . . . . 0.776 HD23 HD12 ' B' ' 77' ' ' LEU . 29.5 mt -50.2 -47.41 54.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 26.9 110.998 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 6.4 tttt -49.94 -41.45 46.39 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.338 -0.392 . . . . 29.9 110.835 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -79.11 -26.69 42.89 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.957 -0.565 . . . . 29.48 110.771 179.779 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.776 HD12 HD23 ' B' ' 74' ' ' LEU . 18.7 mt -67.6 -46.26 73.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.065 -0.516 . . . . 28.86 111.036 -179.867 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -71.23 -60.49 2.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 34.8 111.025 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 16.6 ptmt -52.1 -26.01 10.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 40.73 111.171 -179.66 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.42 -52.91 62.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.368 -0.378 . . . . 43.41 110.874 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 12.1 p -68.73 64.56 0.12 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 42.83 110.908 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 15.0 t . . . . . 0 C--O 1.25 1.127 0 CA-C-O 118.182 -0.913 . . . . 51.32 110.864 -179.974 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 52' ' ' ARG . . . . . . . . . . . . . 11.9 ptt180 . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.853 0.358 . . . . 46.33 111.202 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 53' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -82.55 58.4 4.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.119 -0.491 . . . . 36.52 110.98 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 54' ' ' ASP . . . . . 0.418 ' O ' ' CB ' ' C' ' 58' ' ' LEU . 6.9 m-20 -55.23 -25.83 35.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.462 . . . . 40.15 110.852 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.93 -41.27 97.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.323 -0.399 . . . . 31.33 110.6 179.694 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -62.46 -57.98 9.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.465 . . . . 27.74 110.376 179.552 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 57' ' ' ARG . . . . . . . . . . . . . 15.3 ptp180 -61.22 -44.9 96.52 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.949 -0.568 . . . . 28.85 110.178 179.461 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 58' ' ' LEU . . . . . 0.63 HD13 ' C ' ' C' ' 58' ' ' LEU . 1.6 tm? -58.49 -45.11 89.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.657 -0.702 . . . . 30.27 110.525 179.453 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 59' ' ' ALA . . . . . 0.41 ' O ' HD12 ' D' ' 74' ' ' LEU . . . -55.67 -37.33 68.15 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.916 -0.584 . . . . 25.0 110.882 179.672 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -62.06 -38.25 88.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.095 -0.502 . . . . 24.52 110.68 179.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 56.2 tt0 -55.46 -63.94 1.01 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.071 -0.513 . . . . 25.25 110.737 179.758 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 62' ' ' GLN . . . . . 0.428 ' N ' ' OE1' ' C' ' 62' ' ' GLN . 0.1 OUTLIER -50.78 -38.6 49.11 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.989 -0.551 . . . . 18.58 110.85 179.783 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' C' C ' 63' ' ' SER . . . . . . . . . . . . . 5.2 m -59.53 -30.93 68.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.117 -0.492 . . . . 16.32 110.606 179.73 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.91 -38.77 66.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.08 -0.509 . . . . 18.75 110.791 179.747 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 65' ' ' LEU . . . . . . . . . . . . . 23.4 mt -56.93 -41.23 77.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.471 . . . . 18.58 110.719 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 66' ' ' VAL . . . . . . . . . . . . . 61.6 t -67.94 -49.3 69.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.105 -0.498 . . . . 10.19 110.955 179.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 67' ' ' LYS . . . . . . . . . . . . . 7.8 tttm -55.07 -51.28 66.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 14.83 110.683 179.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 68' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -54.21 -39.44 66.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 22.23 110.668 179.721 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 69' ' ' MET . . . . . 0.65 ' HE2' HG21 ' A' ' 73' ' ' THR . 53.9 ttp -65.4 -40.66 93.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.109 -0.496 . . . . 9.37 110.65 179.684 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 70' ' ' VAL . . . . . 0.455 HG13 ' HG ' ' C' ' 74' ' ' LEU . 73.5 t -71.24 -41.28 74.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.047 -0.524 . . . . 7.4 110.826 179.81 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 71' ' ' PHE . . . . . 0.49 ' CZ ' ' HD3' ' C' ' 75' ' ' LYS . 19.7 t80 -52.36 -60.56 3.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.409 -0.36 . . . . 19.17 110.557 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -52.23 -45.98 65.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.279 -0.419 . . . . 12.08 110.695 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 73' ' ' THR . . . . . 0.662 HG21 ' HE2' ' A' ' 69' ' ' MET . 18.7 m -63.92 -69.35 0.28 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.29 -0.414 . . . . 9.9 110.362 179.738 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 74' ' ' LEU . . . . . 0.476 ' CD1' ' CB ' ' D' ' 62' ' ' GLN . 14.9 mt -50.42 -36.1 31.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 17.38 110.962 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 75' ' ' LYS . . . . . 0.49 ' HD3' ' CZ ' ' C' ' 71' ' ' PHE . 7.9 tttp -55.53 -67.46 0.28 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.13 -0.486 . . . . 20.0 110.06 179.49 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 76' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.56 -32.09 73.0 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.641 -0.708 . . . . 17.05 110.799 179.601 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 77' ' ' LEU . . . . . 0.537 HD12 ' C ' ' C' ' 77' ' ' LEU . 1.2 tp -65.51 -65.18 0.71 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.297 -0.41 . . . . 19.52 110.642 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 78' ' ' TYR . . . . . 0.72 ' OH ' HG13 ' B' ' 70' ' ' VAL . 22.7 m-30 -55.75 -24.68 36.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.433 . . . . 26.29 110.703 179.776 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.89 -27.91 65.19 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.319 -0.4 . . . . 27.06 110.494 179.621 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.3 -41.65 96.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.092 -0.504 . . . . 31.51 110.799 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 81' ' ' THR . . . . . . . . . . . . . 69.5 p -60.57 -77.54 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.061 -0.518 . . . . 34.33 110.791 179.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 82' ' ' THR . . . . . . . . . . . . . 2.8 t . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.214 -0.898 . . . . 40.89 110.873 179.882 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' D' D ' 52' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.816 0.341 . . . . 46.0 111.241 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' D' D ' 53' ' ' ASN . . . . . 0.579 ' OD1' ' HB3' ' D' ' 55' ' ' ALA . 2.9 p30 -162.41 176.53 10.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 40.43 110.976 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -54.55 -42.16 70.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 32.6 110.923 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 55' ' ' ALA . . . . . 0.579 ' HB3' ' OD1' ' D' ' 53' ' ' ASN . . . -51.72 -37.96 53.23 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.121 -0.49 . . . . 31.52 110.995 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.6 -52.1 23.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 30.43 110.816 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 57' ' ' ARG . . . . . . . . . . . . . 17.5 mtt180 -57.73 -26.77 62.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 22.56 110.735 179.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 58' ' ' LEU . . . . . 0.88 HD13 ' CG2' ' B' ' 73' ' ' THR . 23.8 mt -76.01 -52.65 9.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.038 -0.528 . . . . 18.68 110.896 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 59' ' ' ALA . . . . . . . . . . . . . . . -56.45 -50.79 70.66 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.008 -0.542 . . . . 19.09 110.909 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 60' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -59.43 -51.33 70.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 24.8 110.884 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 61' ' ' GLU . . . . . . . . . . . . . 21.5 tp10 -58.09 -36.71 73.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.233 -0.44 . . . . 17.02 110.754 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 62' ' ' GLN . . . . . 0.505 ' O ' HG23 ' D' ' 66' ' ' VAL . 0.0 OUTLIER -74.05 -49.65 23.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.022 -0.535 . . . . 14.62 110.919 179.931 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' D' D ' 63' ' ' SER . . . . . . . . . . . . . 1.5 m -58.31 -55.61 32.82 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.979 0.418 . . . . 13.4 110.319 179.702 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 64' ' ' GLU . . . . . 0.439 ' HG3' ' N ' ' D' ' 65' ' ' LEU . 10.3 pt-20 -48.34 -37.64 17.14 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.972 -0.558 . . . . 8.35 110.583 179.581 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 65' ' ' LEU . . . . . 0.439 ' N ' ' HG3' ' D' ' 64' ' ' GLU . 0.1 OUTLIER -63.04 -40.48 97.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.953 -0.567 . . . . 6.0 110.614 179.653 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' D' D ' 66' ' ' VAL . . . . . 0.505 HG23 ' O ' ' D' ' 62' ' ' GLN . 3.6 t -64.11 -38.62 82.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.068 -0.514 . . . . 5.63 110.964 179.765 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.96 -63.77 1.05 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.086 -0.506 . . . . 12.74 110.804 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 68' ' ' LYS . . . . . . . . . . . . . 1.3 ttmp? -50.77 -32.31 19.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.22 -0.445 . . . . 17.63 110.596 179.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 69' ' ' MET . . . . . 0.455 ' HE2' HG13 ' D' ' 66' ' ' VAL . 26.3 ttp -68.06 -53.53 24.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.011 -0.541 . . . . 12.93 110.668 179.65 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 70' ' ' VAL . . . . . 0.645 HG13 ' OH ' ' A' ' 78' ' ' TYR . 58.7 t -69.89 -24.88 27.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.06 -0.518 . . . . 15.14 110.862 179.756 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 26.2 t80 -59.97 -46.04 90.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 24.0 110.617 179.719 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.58 -46.39 79.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 28.15 110.63 179.699 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 73' ' ' THR . . . . . 0.879 ' CG2' HD13 ' B' ' 58' ' ' LEU . 97.3 m -51.82 -60.72 2.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.101 -0.5 . . . . 23.4 110.864 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 74' ' ' LEU . . . . . 0.774 HD23 HD12 ' D' ' 77' ' ' LEU . 29.3 mt -50.36 -47.35 56.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.487 . . . . 21.66 110.919 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 75' ' ' LYS . . . . . . . . . . . . . 6.6 tttt -49.98 -41.34 46.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.939 0.399 . . . . 25.99 110.795 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 76' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -79.28 -26.64 42.3 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.991 -0.55 . . . . 29.55 110.729 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 77' ' ' LEU . . . . . 0.774 HD12 HD23 ' D' ' 74' ' ' LEU . 18.9 mt -67.5 -46.38 73.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.07 -0.514 . . . . 30.66 111.039 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 78' ' ' TYR . . . . . 0.512 ' CE1' HD12 ' C' ' 58' ' ' LEU . 2.5 m-85 -71.11 -60.43 2.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.096 -0.502 . . . . 31.84 111.145 -179.847 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 79' ' ' LYS . . . . . . . . . . . . . 16.6 ptmt -52.14 -26.14 10.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 41.18 111.123 -179.715 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.39 -53.0 61.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.353 -0.385 . . . . 39.79 110.763 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 81' ' ' THR . . . . . . . . . . . . . 11.9 p -68.58 64.52 0.11 Allowed 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 116.264 -0.426 . . . . 41.41 110.975 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 82' ' ' THR . . . . . . . . . . . . . 15.1 t . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.187 -0.911 . . . . 48.12 110.944 -179.969 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.403 0 CA-C-O 120.801 0.334 . . . . 47.17 111.183 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -62.44 88.52 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 40.19 110.983 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.71 -34.04 66.84 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.3 -0.409 . . . . 42.67 110.681 179.772 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.505 ' HB1' ' CG ' ' B' ' 78' ' ' TYR . . . -59.83 -39.96 86.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 34.3 110.61 179.604 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -67.51 -55.93 11.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.083 -0.508 . . . . 29.41 110.426 179.534 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.49 -42.2 91.61 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.794 -0.639 . . . . 34.03 110.41 179.491 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.42 ' HA ' HD23 ' A' ' 58' ' ' LEU . 14.5 mt -58.08 -47.4 83.33 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.905 -0.589 . . . . 32.25 110.644 179.604 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.6 -38.85 56.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 23.57 110.996 179.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.7 -28.59 64.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.06 -0.518 . . . . 20.85 110.677 179.773 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -78.74 -40.28 33.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 22.8 110.651 179.811 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.423 ' HB2' HD13 ' B' ' 74' ' ' LEU . 54.6 mm-40 -66.82 -40.29 87.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.054 -0.521 . . . . 18.78 110.44 179.652 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.9 p -62.77 -38.22 89.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 18.14 110.548 179.634 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.416 ' HA ' ' HG2' ' A' ' 67' ' ' LYS . 1.9 mm-40 -60.49 -37.53 81.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 21.04 110.731 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.79 -34.04 77.41 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.132 -0.486 . . . . 19.83 110.726 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.433 ' O ' HG23 ' A' ' 70' ' ' VAL . 48.2 t -81.99 -33.43 11.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 12.41 111.624 -179.757 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.416 ' HG2' ' HA ' ' A' ' 64' ' ' GLU . 14.0 ptmt -73.94 -30.37 62.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.981 0.42 . . . . 9.07 110.384 179.672 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 13.7 ttmt -74.49 -44.22 52.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.848 -0.615 . . . . 18.41 110.445 179.619 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.515 ' SD ' HG21 ' C' ' 73' ' ' THR . 6.4 ptt? -63.44 -37.47 87.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.26 -0.427 . . . . 9.41 110.261 179.575 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 66' ' ' VAL . 46.9 t -70.69 -40.19 76.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.014 -0.539 . . . . 8.86 110.309 179.234 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.427 ' O ' ' CB ' ' A' ' 75' ' ' LYS . 67.0 t80 -54.15 -59.69 4.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.057 -0.52 . . . . 20.46 110.224 179.446 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -53.33 -46.16 69.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 14.62 110.474 179.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.418 HG21 ' SD ' ' C' ' 69' ' ' MET . 18.3 m -60.65 -70.23 0.19 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.22 -0.446 . . . . 8.28 110.199 179.519 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.724 HD12 ' HB2' ' B' ' 62' ' ' GLN . 15.5 mt -51.41 -35.66 40.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 15.15 110.944 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.427 ' CB ' ' O ' ' A' ' 71' ' ' PHE . 8.3 tttt -55.43 -68.61 0.18 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.108 -0.496 . . . . 18.97 110.186 179.474 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.19 -31.21 72.3 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.651 -0.704 . . . . 18.82 110.76 179.677 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.713 ' O ' HD12 ' A' ' 77' ' ' LEU . 1.7 tp -64.88 -46.13 83.07 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.421 -0.354 . . . . 20.72 110.457 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.526 ' CD1' HD11 ' D' ' 77' ' ' LEU . 21.2 m-30 -71.37 -23.2 61.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 28.2 110.595 179.523 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.1 tppp? -74.55 -28.99 61.19 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.326 -0.397 . . . . 26.18 110.507 179.608 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 2.2 mttm -68.29 -36.28 79.14 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.13 -0.486 . . . . 31.35 110.821 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -62.36 -61.78 2.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.076 -0.511 . . . . 34.06 110.879 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 52.1 p . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.203 -0.903 . . . . 39.85 110.894 -179.967 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.843 0.354 . . . . 48.22 111.202 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -153.93 179.68 8.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.462 . . . . 37.75 110.997 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -63.62 -23.84 67.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.077 -0.51 . . . . 31.8 111.042 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -52.13 -43.23 63.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.291 -0.413 . . . . 29.01 110.774 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -71.75 -49.44 39.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.018 -0.537 . . . . 31.4 110.516 179.672 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -54.97 -34.99 63.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 23.47 110.522 179.612 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . 0.912 HD22 HG23 ' D' ' 73' ' ' THR . 8.6 mt -65.45 -60.95 2.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.951 -0.568 . . . . 20.17 110.712 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -45.75 -32.66 2.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.941 -0.572 . . . . 19.59 111.182 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 46.7 t0 -65.05 -43.98 90.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.96 -0.564 . . . . 23.57 110.474 179.699 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 62.0 mm-40 -66.31 -34.99 79.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.108 -0.497 . . . . 17.48 110.496 179.63 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . 0.724 ' HB2' HD12 ' A' ' 74' ' ' LEU . 3.0 mm-40 -70.36 -45.76 65.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.058 -0.519 . . . . 10.83 110.574 179.572 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.03 -60.39 3.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.071 -0.513 . . . . 14.08 110.573 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -51.2 -33.05 25.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.313 -0.403 . . . . 10.01 110.407 179.612 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.35 -49.09 62.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.934 -0.575 . . . . 8.17 110.446 179.574 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . 0.661 HG13 ' HE2' ' B' ' 69' ' ' MET . 26.2 t -64.35 -32.74 58.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 5.74 111.003 179.787 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -59.61 -60.48 3.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.112 -0.495 . . . . 6.16 110.795 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 20.1 tttt -53.91 -34.09 58.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.919 0.39 . . . . 14.52 110.666 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 69' ' ' MET . . . . . 0.661 ' HE2' HG13 ' B' ' 66' ' ' VAL . 47.8 ttp -65.6 -49.51 68.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.066 -0.515 . . . . 12.51 110.451 179.736 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 92.3 t -74.67 -24.38 18.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.97 -0.559 . . . . 14.01 110.935 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 28.3 t80 -61.43 -43.76 98.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.278 -0.419 . . . . 20.01 110.58 179.706 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -68.77 -43.46 75.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 26.39 110.581 179.746 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 73' ' ' THR . . . . . 0.937 HG23 HD22 ' D' ' 58' ' ' LEU . 88.9 m -57.87 -55.47 34.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.208 -0.451 . . . . 24.97 110.84 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 74' ' ' LEU . . . . . 0.599 HD23 HD12 ' B' ' 77' ' ' LEU . 85.3 mt -54.06 -42.11 68.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 23.7 110.705 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.03 -42.33 60.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 25.12 110.699 179.8 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 76' ' ' ASP . . . . . 0.439 ' HA ' ' CD ' ' B' ' 79' ' ' LYS . 8.4 m-20 -80.05 -23.85 41.09 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.962 -0.563 . . . . 28.03 110.982 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.599 HD12 HD23 ' B' ' 74' ' ' LEU . 26.4 mt -69.66 -35.04 74.82 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.215 -0.448 . . . . 28.91 111.13 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 78' ' ' TYR . . . . . 0.505 ' CG ' ' HB1' ' A' ' 55' ' ' ALA . 24.3 m-85 -81.18 -58.56 3.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.304 -0.407 . . . . 31.3 111.08 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 79' ' ' LYS . . . . . 0.439 ' CD ' ' HA ' ' B' ' 76' ' ' ASP . 1.5 pttt -48.36 -27.6 2.67 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.263 -0.426 . . . . 42.95 111.034 -179.801 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 7.3 ttmt -52.13 -53.63 40.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.312 -0.404 . . . . 38.95 110.776 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 2.0 t -109.5 80.55 1.33 Allowed 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 116.186 -0.461 . . . . 39.48 111.072 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.216 -0.897 . . . . 45.28 110.935 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.863 0.363 . . . . 46.03 111.099 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 53' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -62.38 88.55 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.134 -0.485 . . . . 39.3 111.012 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.87 -33.9 66.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 36.63 110.677 179.832 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.9 -39.95 87.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 32.76 110.578 179.595 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -67.6 -55.93 11.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.929 -0.578 . . . . 28.61 110.401 179.596 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.37 -42.59 91.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.865 -0.607 . . . . 32.49 110.386 179.539 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 58' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' C' ' 58' ' ' LEU . 14.8 mt -57.72 -47.39 82.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.829 -0.623 . . . . 24.6 110.669 179.664 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.74 -38.61 56.05 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.105 -0.498 . . . . 22.12 110.857 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.97 -28.57 64.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 24.38 110.631 179.825 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -78.78 -40.03 34.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 26.13 110.716 179.737 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 53.9 mm-40 -67.03 -40.21 87.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.01 -0.541 . . . . 24.01 110.451 179.638 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 63' ' ' SER . . . . . 0.42 ' HB2' ' CG ' ' D' ' 67' ' ' LYS . 4.9 p -62.86 -38.38 90.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.087 -0.506 . . . . 16.33 110.474 179.687 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 64' ' ' GLU . . . . . 0.411 ' O ' ' HG2' ' C' ' 67' ' ' LYS . 1.9 mm-40 -60.33 -37.54 80.94 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.115 -0.493 . . . . 21.52 110.772 179.795 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 65' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.75 -34.2 77.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 14.53 110.782 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 66' ' ' VAL . . . . . 0.444 ' O ' HG23 ' C' ' 70' ' ' VAL . 48.0 t -81.84 -33.39 11.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 12.35 111.66 -179.755 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 67' ' ' LYS . . . . . 0.411 ' HG2' ' O ' ' C' ' 64' ' ' GLU . 14.0 ptmt -74.18 -30.08 62.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.93 0.395 . . . . 18.82 110.317 179.832 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 68' ' ' LYS . . . . . . . . . . . . . 13.7 ttmt -74.7 -44.25 51.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.916 -0.584 . . . . 16.11 110.434 179.6 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 69' ' ' MET . . . . . 0.431 ' HG2' ' O ' ' C' ' 66' ' ' VAL . 6.3 ptt? -63.28 -37.44 87.25 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.239 -0.437 . . . . 6.89 110.233 179.467 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 70' ' ' VAL . . . . . 0.444 HG23 ' O ' ' C' ' 66' ' ' VAL . 48.0 t -70.81 -40.12 76.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.997 -0.547 . . . . 6.6 110.298 179.28 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 71' ' ' PHE . . . . . 0.426 ' O ' ' CB ' ' C' ' 75' ' ' LYS . 66.5 t80 -54.26 -59.73 4.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 8.15 110.168 179.485 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -53.2 -46.09 68.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.268 -0.424 . . . . 10.03 110.511 179.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 73' ' ' THR . . . . . 0.515 HG21 ' SD ' ' A' ' 69' ' ' MET . 18.1 m -60.83 -70.28 0.19 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 14.48 110.209 179.586 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 74' ' ' LEU . . . . . 0.737 HD12 ' HB2' ' D' ' 62' ' ' GLN . 15.3 mt -51.43 -35.42 39.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.066 -0.515 . . . . 17.04 110.949 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 75' ' ' LYS . . . . . 0.426 ' CB ' ' O ' ' C' ' 71' ' ' PHE . 8.3 tttt -55.76 -68.4 0.21 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.204 -0.453 . . . . 17.14 110.218 179.465 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 76' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.13 -31.38 72.5 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.723 -0.671 . . . . 14.66 110.794 179.534 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 77' ' ' LEU . . . . . 0.723 ' O ' HD12 ' C' ' 77' ' ' LEU . 1.7 tp -64.65 -46.28 83.18 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.354 -0.384 . . . . 20.35 110.53 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 78' ' ' TYR . . . . . 0.537 ' CD1' HD11 ' B' ' 77' ' ' LEU . 21.2 m-30 -71.32 -23.21 61.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 23.5 110.641 179.568 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 1.1 tppp? -74.51 -29.18 61.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.298 -0.41 . . . . 28.61 110.491 179.525 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 2.2 mttm -67.94 -36.52 80.28 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.149 -0.478 . . . . 26.99 110.832 179.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 81' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -62.26 -61.59 2.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.081 -0.509 . . . . 32.48 110.953 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 82' ' ' THR . . . . . . . . . . . . . 52.3 p . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.289 -0.862 . . . . 37.42 110.896 179.991 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' D' D ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.762 0.315 . . . . 46.89 111.241 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 53' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -153.91 179.59 8.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 41.85 111.043 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -63.56 -23.97 67.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 35.4 111.109 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 55' ' ' ALA . . . . . . . . . . . . . . . -52.06 -43.06 63.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.943 0.401 . . . . 33.53 110.82 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -71.87 -49.41 38.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.055 -0.52 . . . . 30.26 110.538 179.647 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 57' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -54.96 -35.13 63.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 33.3 110.516 179.596 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 58' ' ' LEU . . . . . 0.937 HD22 HG23 ' B' ' 73' ' ' THR . 8.5 mt -65.37 -60.6 2.8 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.008 -0.542 . . . . 21.16 110.747 179.837 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 59' ' ' ALA . . . . . . . . . . . . . . . -46.21 -32.41 3.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.919 -0.582 . . . . 17.27 111.091 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 60' ' ' ASP . . . . . . . . . . . . . 46.9 t0 -65.23 -44.2 88.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.095 -0.502 . . . . 19.42 110.481 179.649 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 61' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 -65.84 -35.16 79.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 13.37 110.5 179.617 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 62' ' ' GLN . . . . . 0.737 ' HB2' HD12 ' C' ' 74' ' ' LEU . 2.9 mm-40 -70.22 -46.5 64.39 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.86 -0.609 . . . . 13.31 110.513 179.643 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 63' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.35 -60.35 3.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.087 -0.506 . . . . 15.48 110.652 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 64' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -51.2 -33.17 26.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.26 -0.427 . . . . 16.27 110.422 179.658 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.22 -49.18 62.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.994 -0.548 . . . . 7.97 110.424 179.492 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 66' ' ' VAL . . . . . 0.653 HG23 ' O ' ' D' ' 62' ' ' GLN . 27.4 t -64.2 -32.84 59.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.169 -0.469 . . . . 7.96 111.018 179.837 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 67' ' ' LYS . . . . . 0.42 ' CG ' ' HB2' ' C' ' 63' ' ' SER . 0.9 OUTLIER -59.57 -60.31 4.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.05 -0.523 . . . . 20.49 110.873 179.939 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' D' D ' 68' ' ' LYS . . . . . . . . . . . . . 20.1 tttt -54.0 -34.21 59.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.425 . . . . 14.27 110.662 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 69' ' ' MET . . . . . 0.617 ' HE2' HG13 ' D' ' 66' ' ' VAL . 47.0 ttp -65.44 -49.29 69.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.063 -0.517 . . . . 11.97 110.569 179.632 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 70' ' ' VAL . . . . . . . . . . . . . 93.6 t -74.85 -24.39 18.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.953 -0.567 . . . . 13.97 110.991 179.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 28.5 t80 -61.38 -43.84 98.17 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.3 -0.409 . . . . 21.12 110.55 179.688 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -68.73 -43.38 76.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.066 -0.515 . . . . 25.38 110.73 179.753 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 73' ' ' THR . . . . . 0.912 HG23 HD22 ' B' ' 58' ' ' LEU . 87.8 m -57.99 -55.4 35.35 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.162 -0.472 . . . . 20.29 110.826 179.81 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 74' ' ' LEU . . . . . 0.604 HD23 HD12 ' D' ' 77' ' ' LEU . 85.4 mt -54.01 -42.24 68.88 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.138 -0.483 . . . . 24.79 110.746 179.83 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 75' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -50.86 -42.3 58.75 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.17 -0.468 . . . . 30.39 110.755 179.78 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 76' ' ' ASP . . . . . 0.439 ' HA ' ' CD ' ' D' ' 79' ' ' LYS . 8.5 m-20 -79.96 -24.23 41.12 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.99 -0.55 . . . . 30.79 111.023 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 77' ' ' LEU . . . . . 0.604 HD12 HD23 ' D' ' 74' ' ' LEU . 26.3 mt -69.31 -35.24 75.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.138 -0.483 . . . . 29.23 111.06 -179.848 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 78' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -81.13 -58.26 3.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.275 -0.421 . . . . 34.48 111.156 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 79' ' ' LYS . . . . . 0.439 ' CD ' ' HA ' ' D' ' 76' ' ' ASP . 1.5 pttt -48.69 -27.36 2.84 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.229 -0.442 . . . . 38.84 111.008 -179.842 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 80' ' ' LYS . . . . . . . . . . . . . 7.3 ttmt -52.39 -53.56 43.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 43.03 110.785 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 81' ' ' THR . . . . . . . . . . . . . 2.0 t -109.53 80.56 1.33 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.156 -0.474 . . . . 41.77 110.996 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 82' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.22 -0.895 . . . . 49.48 110.905 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 10.9 ttm-85 . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.77 0.319 . . . . 45.89 111.178 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 48.1 t-20 -150.86 64.97 0.92 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.45 . . . . 41.68 110.879 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -53.34 -29.54 34.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 39.17 110.822 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.41 -44.61 94.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.323 -0.399 . . . . 35.57 110.785 179.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 77.3 tt0 -62.48 -51.23 68.28 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.135 -0.484 . . . . 30.74 110.437 179.598 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 2.7 ttp180 -64.11 -46.88 82.25 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.875 -0.602 . . . . 38.76 110.386 179.587 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' A' ' 58' ' ' LEU . 14.6 mt -53.95 -46.41 71.57 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.881 -0.6 . . . . 27.07 110.551 179.581 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.65 -41.91 61.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.07 -0.514 . . . . 20.85 110.609 179.701 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -66.1 -32.23 73.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.888 -0.596 . . . . 20.2 110.515 179.617 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -68.86 -45.87 69.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.079 -0.509 . . . . 22.45 110.615 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 38.4 mm-40 -63.68 -38.11 89.87 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.029 -0.532 . . . . 24.87 110.487 179.645 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.7 m -62.48 -40.39 96.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.02 -0.537 . . . . 17.11 110.543 179.642 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -59.1 -36.59 75.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.019 -0.537 . . . . 25.96 110.6 179.703 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.401 ' O ' ' HG3' ' A' ' 68' ' ' LYS . 1.1 mt -63.8 -41.35 97.93 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.028 -0.533 . . . . 17.26 110.74 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 36.9 t -74.71 -45.36 44.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 14.79 110.71 179.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.7 tttm -58.5 -56.37 23.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.007 -0.542 . . . . 11.6 110.57 179.647 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.401 ' HG3' ' O ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -55.39 -31.28 61.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.263 -0.426 . . . . 12.48 110.483 179.76 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.506 ' HE2' HG21 ' C' ' 73' ' ' THR . 66.5 ttp -69.62 -39.18 77.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.038 -0.528 . . . . 7.66 110.665 179.709 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 70.2 t -74.24 -35.74 41.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.05 -0.523 . . . . 9.26 110.869 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.43 ' O ' ' CB ' ' A' ' 75' ' ' LYS . 56.3 t80 -56.25 -63.68 1.11 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.4 -0.364 . . . . 12.81 110.517 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -51.05 -40.32 58.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.37 -0.377 . . . . 12.67 110.643 179.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.587 HG21 ' HE2' ' C' ' 69' ' ' MET . 21.7 m -66.44 -73.34 0.13 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.242 -0.435 . . . . 12.11 110.385 179.732 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.659 HD12 ' HB2' ' B' ' 62' ' ' GLN . 17.4 mt -49.57 -36.85 25.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.035 -0.53 . . . . 13.87 111.028 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.43 ' CB ' ' O ' ' A' ' 71' ' ' PHE . 10.4 tttt -57.32 -67.51 0.32 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.192 0.52 . . . . 13.74 109.971 179.332 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.16 -26.89 69.02 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.558 -0.746 . . . . 17.03 110.786 179.699 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.615 ' C ' HD12 ' A' ' 77' ' ' LEU . 0.6 OUTLIER -68.21 -59.75 2.98 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.43 -0.35 . . . . 21.29 110.437 179.831 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.842 ' OH ' HG13 ' D' ' 70' ' ' VAL . 20.0 m-85 -60.21 -24.49 64.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.881 0.372 . . . . 25.41 110.38 179.372 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 8.4 tttt -66.11 -35.62 80.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 25.48 110.39 179.571 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.95 -30.36 69.64 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.004 -0.544 . . . . 27.65 110.888 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.0 -78.37 0.06 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.147 -0.478 . . . . 33.8 110.879 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.8 p . . . . . 0 C--O 1.248 0.985 0 CA-C-O 118.201 -0.904 . . . . 38.49 110.893 -179.999 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 3.2 mmt-85 . . . . . 0 N--CA 1.487 1.402 0 CA-C-O 120.828 0.347 . . . . 48.19 111.116 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -148.08 173.75 12.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.075 -0.512 . . . . 39.82 110.809 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.93 -17.47 62.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 33.46 111.454 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -48.96 -39.02 24.81 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.908 0.385 . . . . 30.4 111.211 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -77.48 -48.27 17.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.146 -0.479 . . . . 31.05 110.686 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 20.2 mmm180 -54.02 -35.71 62.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.015 0.436 . . . . 27.31 110.388 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . 0.905 HD22 HG23 ' D' ' 73' ' ' THR . 13.3 mt -65.59 -63.86 1.0 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.916 -0.584 . . . . 22.52 110.842 179.814 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -46.69 -27.39 1.16 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.836 -0.62 . . . . 19.59 111.326 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.02 -60.75 2.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 20.08 110.92 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -60.11 -24.43 64.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.308 -0.406 . . . . 11.68 110.628 179.715 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . 0.693 ' O ' HG23 ' B' ' 66' ' ' VAL . 2.4 mm-40 -72.79 -43.99 62.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.099 -0.5 . . . . 11.4 111.011 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 1.4 m -64.39 -59.33 4.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.331 -0.395 . . . . 17.0 110.817 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -48.96 -33.41 10.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.47 . . . . 16.54 110.934 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.97 -44.0 86.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.056 -0.52 . . . . 10.34 110.898 179.77 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . 0.693 HG23 ' O ' ' B' ' 62' ' ' GLN . 3.4 t -62.99 -35.24 70.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.09 -0.505 . . . . 8.45 111.392 -179.821 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.56 -54.3 47.12 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.268 -0.424 . . . . 15.71 110.982 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 14.4 tttt -54.43 -35.82 63.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.304 -0.407 . . . . 9.6 111.005 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 69' ' ' MET . . . . . 0.46 ' HE1' ' HB3' ' D' ' 62' ' ' GLN . 40.1 ttp -68.87 -50.93 45.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 11.25 110.828 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.79 HG13 ' OH ' ' C' ' 78' ' ' TYR . 58.7 t -75.02 -20.04 16.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 11.02 111.367 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -66.63 -43.99 83.2 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.884 0.373 . . . . 18.27 110.689 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -68.65 -43.26 76.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 23.83 110.707 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 73' ' ' THR . . . . . 0.855 HG23 HD22 ' D' ' 58' ' ' LEU . 55.8 m -56.16 -55.94 27.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 23.62 110.935 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 74' ' ' LEU . . . . . 0.524 ' HA ' HD12 ' B' ' 77' ' ' LEU . 24.5 mt -49.96 -41.09 45.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.434 . . . . 27.35 110.925 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.63 -47.03 63.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.968 0.414 . . . . 29.21 110.561 179.773 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.93 -32.09 67.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.907 -0.588 . . . . 28.84 110.532 179.675 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.531 HD11 ' CD1' ' C' ' 78' ' ' TYR . 20.3 mt -61.51 -53.19 59.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.972 -0.558 . . . . 28.69 110.684 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -73.94 -36.56 64.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.082 -0.508 . . . . 34.3 110.707 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.42 -23.56 67.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.083 -0.508 . . . . 40.06 111.043 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -69.98 -22.59 63.13 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.32 -0.4 . . . . 42.45 110.976 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . 0.499 HG23 ' O ' ' B' ' 81' ' ' THR . 8.6 t -157.21 68.27 0.54 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.368 -0.378 . . . . 40.71 110.883 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 1.6 t . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.137 -0.935 . . . . 48.44 110.974 -179.983 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 52' ' ' ARG . . . . . . . . . . . . . 10.6 ttm-85 . . . . . 0 N--CA 1.485 1.324 0 CA-C-O 120.793 0.33 . . . . 48.38 111.165 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 53' ' ' ASN . . . . . . . . . . . . . 48.1 t-20 -150.8 65.12 0.92 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 36.83 110.913 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -53.49 -29.39 35.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 39.45 110.848 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.6 -44.21 94.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 31.2 110.753 179.768 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 77.6 tt0 -62.92 -51.04 68.47 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.232 -0.44 . . . . 28.26 110.407 179.676 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 57' ' ' ARG . . . . . . . . . . . . . 2.8 ttp180 -64.21 -46.76 82.48 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.873 -0.603 . . . . 28.02 110.394 179.537 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 58' ' ' LEU . . . . . 0.428 HD23 ' HA ' ' C' ' 58' ' ' LEU . 14.7 mt -54.02 -46.6 71.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.815 -0.63 . . . . 30.02 110.571 179.583 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.42 -42.0 61.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 25.02 110.677 179.634 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 27.8 t0 -66.07 -32.18 73.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.923 -0.58 . . . . 25.78 110.518 179.583 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -68.83 -45.81 70.19 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.085 -0.507 . . . . 26.64 110.611 179.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 62' ' ' GLN . . . . . 0.403 ' HA ' HD12 ' C' ' 65' ' ' LEU . 38.4 mm-40 -63.79 -37.88 89.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.0 -0.546 . . . . 19.03 110.524 179.657 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 63' ' ' SER . . . . . . . . . . . . . 3.6 m -62.65 -40.36 96.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.021 -0.536 . . . . 16.14 110.493 179.608 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -59.12 -36.63 75.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 15.39 110.591 179.702 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 65' ' ' LEU . . . . . 0.405 ' O ' ' HG3' ' C' ' 68' ' ' LYS . 1.2 mt -63.6 -41.49 98.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.079 -0.51 . . . . 17.73 110.765 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 66' ' ' VAL . . . . . . . . . . . . . 38.5 t -74.54 -45.53 45.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 9.78 110.739 179.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 67' ' ' LYS . . . . . . . . . . . . . 13.4 tttm -58.61 -56.01 27.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.972 -0.558 . . . . 17.11 110.582 179.752 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 68' ' ' LYS . . . . . 0.405 ' HG3' ' O ' ' C' ' 65' ' ' LEU . 0.0 OUTLIER -55.59 -31.55 62.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 20.04 110.387 179.683 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' C' C ' 69' ' ' MET . . . . . 0.587 ' HE2' HG21 ' A' ' 73' ' ' THR . 66.5 ttp -69.46 -39.2 77.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.086 -0.506 . . . . 8.84 110.631 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 70' ' ' VAL . . . . . 0.402 HG13 ' HG ' ' C' ' 74' ' ' LEU . 74.2 t -74.07 -35.97 43.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.075 -0.511 . . . . 6.57 110.933 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 71' ' ' PHE . . . . . 0.422 ' O ' ' CB ' ' C' ' 75' ' ' LYS . 56.0 t80 -56.03 -63.9 1.03 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.395 -0.366 . . . . 17.87 110.569 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -50.97 -40.33 57.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.352 -0.385 . . . . 11.59 110.623 179.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 73' ' ' THR . . . . . 0.506 HG21 ' HE2' ' A' ' 69' ' ' MET . 22.3 m -66.54 -73.32 0.14 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.295 -0.412 . . . . 11.49 110.393 179.652 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 74' ' ' LEU . . . . . 0.624 HD12 ' HB2' ' D' ' 62' ' ' GLN . 16.6 mt -49.51 -36.99 24.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 18.55 110.977 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 75' ' ' LYS . . . . . 0.422 ' CB ' ' O ' ' C' ' 71' ' ' PHE . 10.4 tttt -57.21 -67.48 0.32 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.228 0.537 . . . . 21.12 110.055 179.355 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 76' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.16 -26.84 69.0 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.465 -0.789 . . . . 16.22 110.804 179.677 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 77' ' ' LEU . . . . . 0.608 HD12 ' C ' ' C' ' 77' ' ' LEU . 0.6 OUTLIER -68.39 -59.65 3.02 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.309 -0.405 . . . . 19.29 110.389 179.938 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' C' C ' 78' ' ' TYR . . . . . 0.79 ' OH ' HG13 ' B' ' 70' ' ' VAL . 20.0 m-85 -60.17 -24.61 64.89 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.887 0.375 . . . . 26.22 110.369 179.391 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 8.3 tttt -65.91 -35.7 81.35 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.06 -0.518 . . . . 27.3 110.439 179.595 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.94 -30.25 69.51 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.977 -0.556 . . . . 30.62 110.942 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.13 -78.33 0.06 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.136 -0.484 . . . . 34.06 110.819 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 82' ' ' THR . . . . . . . . . . . . . 3.9 p . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.227 -0.892 . . . . 41.68 110.902 179.992 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' D' D ' 52' ' ' ARG . . . . . . . . . . . . . 3.2 mmt-85 . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.837 0.351 . . . . 47.02 111.229 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' D' D ' 53' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -148.2 173.82 12.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.114 -0.494 . . . . 40.0 110.822 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.0 -17.35 62.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.178 -0.465 . . . . 32.82 111.426 -179.777 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 55' ' ' ALA . . . . . . . . . . . . . . . -49.06 -39.09 26.27 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.853 0.359 . . . . 32.3 111.213 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -77.37 -48.3 17.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.489 . . . . 30.21 110.725 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 57' ' ' ARG . . . . . . . . . . . . . 20.2 mmm180 -53.94 -35.7 62.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.284 -0.416 . . . . 22.8 110.418 179.72 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 58' ' ' LEU . . . . . 0.855 HD22 HG23 ' B' ' 73' ' ' THR . 13.6 mt -65.63 -63.65 1.04 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.885 -0.598 . . . . 18.16 110.73 179.845 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 59' ' ' ALA . . . . . . . . . . . . . . . -46.8 -27.59 1.26 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.841 -0.618 . . . . 18.79 111.35 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 60' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.73 -61.02 1.99 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.174 -0.466 . . . . 24.89 110.767 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 61' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -59.94 -24.43 64.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 16.9 110.707 179.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 62' ' ' GLN . . . . . 0.698 ' O ' HG23 ' D' ' 66' ' ' VAL . 2.4 mm-40 -72.64 -43.89 62.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.096 -0.502 . . . . 15.17 110.969 179.819 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 63' ' ' SER . . . . . . . . . . . . . 1.4 m -64.89 -58.79 5.23 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.348 -0.387 . . . . 13.06 110.992 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 64' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -49.33 -33.33 13.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 7.8 110.811 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.13 -44.14 85.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.007 -0.542 . . . . 5.86 110.841 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 66' ' ' VAL . . . . . 0.698 HG23 ' O ' ' D' ' 62' ' ' GLN . 3.4 t -62.9 -35.12 69.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 5.85 111.411 -179.787 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 67' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.68 -54.23 47.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.238 -0.437 . . . . 14.14 111.047 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 68' ' ' LYS . . . . . . . . . . . . . 14.4 tttt -54.46 -35.78 63.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.349 -0.387 . . . . 19.01 111.005 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 69' ' ' MET . . . . . 0.45 ' HE1' ' HB3' ' B' ' 62' ' ' GLN . 40.5 ttp -68.73 -50.89 46.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.181 -0.463 . . . . 13.42 110.874 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 70' ' ' VAL . . . . . 0.842 HG13 ' OH ' ' A' ' 78' ' ' TYR . 58.5 t -74.97 -20.38 16.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 15.68 111.464 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 23.2 t80 -66.21 -44.21 84.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.889 0.376 . . . . 25.02 110.649 179.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -68.52 -43.47 76.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.097 -0.502 . . . . 29.17 110.749 179.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 73' ' ' THR . . . . . 0.905 HG23 HD22 ' B' ' 58' ' ' LEU . 55.5 m -55.92 -55.89 27.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.102 -0.499 . . . . 22.58 110.983 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 74' ' ' LEU . . . . . 0.523 ' HA ' HD12 ' D' ' 77' ' ' LEU . 24.4 mt -50.13 -41.01 47.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 21.24 111.001 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.71 -46.64 63.98 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.303 -0.408 . . . . 26.88 110.58 179.739 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 76' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.18 -32.16 66.58 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.991 -0.549 . . . . 31.43 110.591 179.628 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 77' ' ' LEU . . . . . 0.553 HD11 ' CD1' ' A' ' 78' ' ' TYR . 20.3 mt -61.46 -53.22 59.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.985 -0.552 . . . . 30.81 110.705 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 78' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -73.83 -36.53 64.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.066 -0.515 . . . . 32.07 110.774 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.46 -23.66 67.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.057 -0.52 . . . . 39.39 111.015 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 80' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -69.85 -22.53 63.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.332 -0.394 . . . . 39.44 111.042 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 81' ' ' THR . . . . . 0.49 HG23 ' O ' ' D' ' 81' ' ' THR . 8.5 t -157.42 68.45 0.53 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.311 -0.404 . . . . 40.18 110.818 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 82' ' ' THR . . . . . . . . . . . . . 1.6 t . . . . . 0 C--O 1.247 0.973 0 CA-C-O 118.335 -0.84 . . . . 46.09 110.839 179.944 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.804 0.335 . . . . 47.27 111.209 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -160.46 59.58 0.33 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 36.85 110.842 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -47.54 -31.83 4.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.05 -0.523 . . . . 37.46 111.161 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.07 -41.4 92.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.364 -0.38 . . . . 30.61 111.093 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -66.12 -53.21 40.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.361 -0.381 . . . . 27.62 110.657 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 72.0 mtt-85 -62.46 -45.72 91.78 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.069 -0.514 . . . . 26.59 110.47 179.606 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.45 ' HA ' HD23 ' A' ' 58' ' ' LEU . 13.0 mt -53.75 -49.14 68.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.721 -0.672 . . . . 27.93 110.755 179.681 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -52.23 -40.83 62.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.171 -0.468 . . . . 24.32 110.775 179.714 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -71.4 -27.71 63.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.073 -0.512 . . . . 26.63 110.54 179.638 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -76.03 -51.47 12.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.034 -0.53 . . . . 27.31 110.673 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.443 ' HB2' HD13 ' B' ' 74' ' ' LEU . 63.0 mm-40 -55.08 -46.38 75.44 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.879 -0.6 . . . . 19.39 110.7 179.812 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 20.2 p -61.96 -42.4 99.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.217 -0.447 . . . . 15.76 110.507 179.649 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -52.69 -36.26 56.86 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.121 -0.491 . . . . 16.8 110.361 179.549 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.6 mt -67.71 -41.55 83.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.996 -0.547 . . . . 16.28 110.421 179.539 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 44.7 t -67.15 -41.51 87.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.058 -0.519 . . . . 9.74 110.707 179.511 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -63.7 -45.85 88.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.022 -0.536 . . . . 18.56 110.549 179.737 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 31.2 ttpt -58.98 -35.7 73.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.104 -0.498 . . . . 21.38 110.487 179.702 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 30.9 ttp -67.41 -39.54 85.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.001 -0.545 . . . . 8.24 110.632 179.665 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.462 HG21 HG21 ' B' ' 66' ' ' VAL . 94.8 t -71.37 -42.59 73.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.054 -0.521 . . . . 5.39 110.949 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.482 ' CZ ' ' HD3' ' A' ' 75' ' ' LYS . 59.2 t80 -51.55 -62.98 1.29 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.833 0.349 . . . . 15.43 110.459 179.801 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -51.23 -43.27 61.42 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.232 -0.44 . . . . 8.27 110.631 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 20.6 m -66.67 -71.15 0.21 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.471 . . . . 12.78 110.414 179.668 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.485 ' HB3' ' CE2' ' A' ' 78' ' ' TYR . 15.6 mt -48.32 -36.09 13.62 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.13 -0.486 . . . . 18.96 110.971 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.482 ' HD3' ' CZ ' ' A' ' 71' ' ' PHE . 0.1 OUTLIER -56.81 -66.37 0.46 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 22.64 110.185 179.555 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -64.89 -28.4 69.51 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.712 -0.676 . . . . 15.5 110.932 179.742 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.612 ' O ' HD12 ' A' ' 77' ' ' LEU . 0.9 OUTLIER -66.86 -57.7 6.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.281 -0.418 . . . . 19.41 110.548 179.925 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.485 ' CE2' ' HB3' ' A' ' 74' ' ' LEU . 22.1 m-85 -61.54 -25.53 67.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.451 . . . . 25.94 110.65 179.831 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 11.7 mmtt -71.12 -30.01 65.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 27.17 110.702 179.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.14 -36.34 72.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.13 -0.486 . . . . 29.99 110.988 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -56.88 -78.1 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 33.82 110.876 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.411 HG23 HD22 ' D' ' 77' ' ' LEU . 5.7 p . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.236 -0.888 . . . . 40.44 110.863 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 32.4 mtt180 . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.773 0.32 . . . . 42.38 111.254 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -139.41 23.84 2.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 40.2 110.931 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.73 -28.14 69.39 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.317 -0.401 . . . . 33.53 110.76 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.97 -40.09 72.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.081 -0.509 . . . . 32.99 111.071 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . 0.403 ' HG2' ' HD2' ' A' ' 75' ' ' LYS . 1.7 mt-10 -68.71 -42.61 77.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 30.9 110.784 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 11.1 mtm180 -62.94 -33.98 76.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 23.12 110.753 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . 0.926 HD13 ' CG2' ' D' ' 73' ' ' THR . 91.9 mt -71.23 -51.38 24.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.098 -0.501 . . . . 18.29 110.734 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 59' ' ' ALA . . . . . 0.414 ' HB2' ' HA ' ' A' ' 75' ' ' LYS . . . -51.0 -31.75 19.07 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.975 -0.557 . . . . 18.88 111.096 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 60' ' ' ASP . . . . . 0.497 ' HA ' ' HG ' ' B' ' 63' ' ' SER . 63.0 t0 -81.41 -51.71 8.03 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.189 -0.459 . . . . 22.87 110.927 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -59.05 -41.57 88.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.19 -0.459 . . . . 16.49 110.789 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . 0.447 ' HB3' ' CD1' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -73.34 -42.05 62.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 15.22 111.131 -179.933 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 63' ' ' SER . . . . . 0.497 ' HG ' ' HA ' ' B' ' 60' ' ' ASP . 96.6 p -65.66 -55.76 15.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.414 -0.357 . . . . 12.94 110.953 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -50.21 -37.12 33.72 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.263 -0.426 . . . . 9.47 110.696 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.97 -44.5 94.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.065 -0.516 . . . . 5.5 110.559 179.673 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . 0.462 HG21 HG21 ' A' ' 70' ' ' VAL . 56.1 t -56.06 -32.67 34.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.276 -0.42 . . . . 6.57 110.782 179.647 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.81 -54.29 44.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.074 -0.512 . . . . 16.92 110.823 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 6.3 tttt -57.99 -34.54 70.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.343 -0.389 . . . . 18.66 110.651 179.763 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 69' ' ' MET . . . . . . . . . . . . . 25.0 ttp -70.46 -49.93 43.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.002 -0.544 . . . . 12.94 110.763 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.417 HG13 ' OH ' ' C' ' 78' ' ' TYR . 98.4 t -74.37 -22.74 17.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 15.38 110.9 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -64.52 -41.76 96.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.361 -0.382 . . . . 25.13 110.589 179.754 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -69.81 -43.13 72.69 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.193 -0.458 . . . . 27.83 110.646 179.722 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 73' ' ' THR . . . . . 0.909 ' CG2' HD13 ' D' ' 58' ' ' LEU . 90.9 m -54.76 -56.39 19.76 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.144 -0.48 . . . . 21.13 110.815 179.764 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 74' ' ' LEU . . . . . 0.607 ' HA ' HD12 ' B' ' 77' ' ' LEU . 10.0 mt -54.27 -41.03 68.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.291 -0.413 . . . . 21.16 110.696 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.72 -41.05 55.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 27.74 110.656 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.19 -26.11 39.37 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.987 -0.552 . . . . 30.55 110.707 179.808 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.607 HD12 ' HA ' ' B' ' 74' ' ' LEU . 27.9 mt -68.33 -36.2 78.93 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.067 -0.515 . . . . 30.3 110.936 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -81.72 -61.59 1.88 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 32.57 110.971 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.48 -29.28 6.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 39.43 111.107 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.55 -71.86 0.06 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.329 -0.396 . . . . 40.79 111.011 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . 0.493 HG23 ' O ' ' B' ' 81' ' ' THR . 10.3 t -79.04 64.14 3.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 41.21 111.016 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 9.0 t . . . . . 0 C--O 1.248 0.987 0 CA-C-O 118.249 -0.882 . . . . 48.39 110.947 179.973 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.88 0.371 . . . . 46.02 111.138 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -160.33 59.54 0.34 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.494 . . . . 41.63 110.816 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 54' ' ' ASP . . . . . 0.404 ' O ' ' HG ' ' C' ' 58' ' ' LEU . 3.5 p30 -47.56 -31.75 4.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.124 -0.489 . . . . 39.33 111.138 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.08 -41.43 92.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.41 -0.359 . . . . 35.3 111.134 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -65.9 -53.37 40.37 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.981 0.42 . . . . 30.43 110.658 179.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 57' ' ' ARG . . . . . . . . . . . . . 72.1 mtt-85 -62.37 -45.75 91.75 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.032 -0.531 . . . . 37.32 110.411 179.697 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 58' ' ' LEU . . . . . 0.461 ' HA ' HD23 ' C' ' 58' ' ' LEU . 13.1 mt -53.78 -49.04 69.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.841 -0.618 . . . . 28.03 110.72 179.771 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -52.39 -40.53 62.19 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.123 -0.49 . . . . 20.41 110.833 179.751 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -71.68 -27.79 63.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.494 . . . . 18.37 110.456 179.718 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -75.88 -51.58 12.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.03 -0.532 . . . . 20.65 110.68 179.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 62' ' ' GLN . . . . . 0.52 ' HB2' HD13 ' D' ' 74' ' ' LEU . 63.1 mm-40 -54.99 -46.44 75.15 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.924 -0.58 . . . . 23.81 110.61 179.809 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 63' ' ' SER . . . . . . . . . . . . . 19.6 p -61.91 -42.25 98.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.425 . . . . 17.94 110.453 179.685 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -52.94 -36.13 59.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 26.04 110.338 179.588 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 65' ' ' LEU . . . . . . . . . . . . . 3.6 mt -68.0 -41.28 82.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.027 -0.533 . . . . 18.51 110.4 179.616 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 66' ' ' VAL . . . . . . . . . . . . . 44.9 t -67.43 -41.38 86.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.109 -0.496 . . . . 14.82 110.608 179.549 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 67' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -63.7 -46.0 87.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.983 -0.553 . . . . 8.82 110.497 179.668 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 68' ' ' LYS . . . . . . . . . . . . . 31.1 ttpt -58.79 -35.79 73.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 13.16 110.385 179.693 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 69' ' ' MET . . . . . . . . . . . . . 30.6 ttp -67.47 -39.5 85.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.035 -0.529 . . . . 8.1 110.624 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 70' ' ' VAL . . . . . 0.477 HG21 HG21 ' D' ' 66' ' ' VAL . 93.0 t -71.46 -42.3 72.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.065 -0.516 . . . . 9.45 110.98 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 71' ' ' PHE . . . . . 0.477 ' CZ ' ' HD3' ' C' ' 75' ' ' LYS . 59.4 t80 -51.81 -62.78 1.42 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.459 -0.337 . . . . 15.22 110.512 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -51.27 -43.23 61.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.279 -0.419 . . . . 13.11 110.641 179.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 73' ' ' THR . . . . . . . . . . . . . 20.7 m -66.75 -71.2 0.21 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 10.65 110.389 179.691 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 74' ' ' LEU . . . . . 0.487 ' HB3' ' CE2' ' C' ' 78' ' ' TYR . 15.6 mt -48.16 -36.16 13.02 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.076 -0.511 . . . . 13.05 111.04 179.822 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 75' ' ' LYS . . . . . 0.477 ' HD3' ' CZ ' ' C' ' 71' ' ' PHE . 0.1 OUTLIER -56.76 -66.32 0.46 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.185 -0.462 . . . . 14.45 110.2 179.507 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' C' C ' 76' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -65.0 -28.49 69.54 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.686 -0.688 . . . . 17.71 110.855 179.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 77' ' ' LEU . . . . . 0.615 ' O ' HD12 ' C' ' 77' ' ' LEU . 0.9 OUTLIER -66.77 -57.64 6.67 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.344 -0.389 . . . . 21.19 110.551 179.916 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' C' C ' 78' ' ' TYR . . . . . 0.487 ' CE2' ' HB3' ' C' ' 74' ' ' LEU . 22.2 m-85 -61.63 -25.54 67.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 25.87 110.68 179.83 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 11.7 mmtt -71.19 -29.85 65.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 25.87 110.617 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.25 -36.26 71.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 28.6 111.031 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -56.96 -78.1 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 33.52 110.789 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 82' ' ' THR . . . . . 0.408 ' H ' HG23 ' C' ' 82' ' ' THR . 5.5 p . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.271 -0.871 . . . . 37.71 110.913 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 52' ' ' ARG . . . . . . . . . . . . . 31.8 mtt180 . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.863 0.363 . . . . 43.35 111.232 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' D' D ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -139.12 23.84 2.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 38.22 110.867 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.76 -28.02 69.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.295 -0.411 . . . . 33.12 110.803 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.08 -39.94 72.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.485 . . . . 29.83 111.089 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -68.9 -42.55 76.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.102 -0.499 . . . . 33.85 110.824 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 57' ' ' ARG . . . . . . . . . . . . . 11.0 mtm180 -62.91 -34.19 76.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.071 -0.513 . . . . 25.64 110.746 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 58' ' ' LEU . . . . . 0.909 HD13 ' CG2' ' B' ' 73' ' ' THR . 91.6 mt -70.93 -51.9 23.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.495 . . . . 22.38 110.749 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 59' ' ' ALA . . . . . . . . . . . . . . . -50.72 -31.57 16.97 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.836 -0.62 . . . . 20.38 111.119 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 60' ' ' ASP . . . . . 0.484 ' HA ' ' HG ' ' D' ' 63' ' ' SER . 63.2 t0 -81.46 -51.73 7.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.322 -0.399 . . . . 18.69 110.894 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 61' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -59.14 -41.54 88.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 12.16 110.828 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 62' ' ' GLN . . . . . 0.462 ' HB3' ' CD1' ' C' ' 74' ' ' LEU . 0.0 OUTLIER -73.25 -42.13 62.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.451 . . . . 10.78 111.156 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' D' D ' 63' ' ' SER . . . . . 0.484 ' HG ' ' HA ' ' D' ' 60' ' ' ASP . 96.0 p -65.62 -55.68 16.3 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.427 -0.352 . . . . 16.63 110.926 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 64' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -50.43 -36.82 34.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.307 -0.406 . . . . 18.41 110.768 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 65' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.16 -44.35 95.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.023 -0.535 . . . . 9.8 110.511 179.673 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 66' ' ' VAL . . . . . 0.477 HG21 HG21 ' C' ' 70' ' ' VAL . 56.7 t -56.3 -32.43 35.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 8.5 110.769 179.716 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.04 -54.38 42.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.092 -0.504 . . . . 11.2 110.762 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 68' ' ' LYS . . . . . . . . . . . . . 6.3 tttt -57.84 -34.53 69.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.293 -0.412 . . . . 10.19 110.589 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 69' ' ' MET . . . . . . . . . . . . . 25.3 ttp -70.55 -49.97 42.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.037 -0.529 . . . . 11.03 110.772 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 70' ' ' VAL . . . . . 0.465 HG13 ' OH ' ' A' ' 78' ' ' TYR . 96.5 t -74.28 -22.73 18.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 10.66 110.983 179.813 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 87.5 t80 -64.5 -41.99 96.11 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.334 -0.394 . . . . 17.95 110.604 179.757 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -69.75 -42.97 73.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.025 -0.534 . . . . 23.38 110.595 179.739 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 73' ' ' THR . . . . . 0.926 ' CG2' HD13 ' B' ' 58' ' ' LEU . 89.6 m -54.76 -56.55 18.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 24.16 110.865 179.752 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 74' ' ' LEU . . . . . 0.602 ' HA ' HD12 ' D' ' 77' ' ' LEU . 9.9 mt -54.22 -40.85 68.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 27.19 110.755 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.94 -40.72 58.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 28.2 110.637 179.84 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 76' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.45 -25.98 38.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.022 -0.536 . . . . 28.15 110.726 179.69 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 77' ' ' LEU . . . . . 0.602 HD12 ' HA ' ' D' ' 74' ' ' LEU . 28.0 mt -68.56 -36.03 78.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.084 -0.507 . . . . 28.37 110.982 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 78' ' ' TYR . . . . . 0.415 ' OH ' HD13 ' C' ' 58' ' ' LEU . 20.1 m-85 -81.96 -61.42 1.92 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 34.03 110.987 -179.832 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.52 -29.39 6.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.467 . . . . 42.46 111.147 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.54 -71.86 0.06 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.256 -0.429 . . . . 42.58 110.939 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 81' ' ' THR . . . . . 0.502 HG23 ' O ' ' D' ' 81' ' ' THR . 10.2 t -79.04 64.23 3.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.436 . . . . 41.82 111.098 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 82' ' ' THR . . . . . . . . . . . . . 9.0 t . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.277 -0.868 . . . . 50.35 110.881 -179.961 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 49.3 mtt180 . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.851 0.358 . . . . 47.15 111.203 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -116.14 84.46 2.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.246 -0.434 . . . . 36.71 110.834 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.407 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 10.5 p-10 -69.41 -40.52 77.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 38.5 110.975 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -53.82 -31.15 48.2 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.412 -0.358 . . . . 31.08 110.915 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -78.52 -50.79 10.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.467 . . . . 27.92 110.579 179.673 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.18 -45.05 94.42 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.901 -0.591 . . . . 28.57 110.464 179.628 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.435 ' HB3' ' CE2' ' B' ' 78' ' ' TYR . 27.9 mt -55.59 -53.28 58.4 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.731 -0.668 . . . . 30.86 110.721 179.769 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -49.76 -34.64 19.74 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.171 -0.468 . . . . 23.98 110.967 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -76.66 -29.03 56.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.093 -0.503 . . . . 24.61 110.676 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -74.36 -59.65 2.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.021 -0.536 . . . . 25.4 110.744 179.749 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.481 ' HB2' HD13 ' B' ' 74' ' ' LEU . 42.3 mm-40 -51.0 -45.62 61.22 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.99 -0.55 . . . . 18.13 110.786 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 26.0 p -60.71 -43.56 97.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.197 -0.456 . . . . 15.96 110.808 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.424 ' HA ' ' HG2' ' A' ' 67' ' ' LYS . 0.6 OUTLIER -57.27 -36.59 71.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.434 . . . . 17.01 110.714 179.88 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.437 HD12 ' HA ' ' A' ' 62' ' ' GLN . 23.6 mt -65.13 -36.63 84.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.429 . . . . 18.67 110.431 179.578 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 58.3 t -70.45 -42.65 78.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.006 -0.543 . . . . 10.05 110.934 179.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.432 ' HG3' ' N ' ' A' ' 68' ' ' LYS . 0.0 OUTLIER -63.99 -28.8 70.06 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.17 -0.468 . . . . 13.95 110.762 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.432 ' N ' ' HG3' ' A' ' 67' ' ' LYS . 0.0 OUTLIER -73.85 -42.88 60.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 22.44 110.292 179.506 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 46.9 ttp -64.75 -46.16 83.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.001 -0.545 . . . . 9.37 110.121 179.353 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -66.98 -42.93 89.34 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 CA-C-N 116.072 -0.513 . . . . 7.38 110.389 179.524 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.406 ' O ' ' HB2' ' A' ' 75' ' ' LYS . 61.4 t80 -47.41 -64.74 0.7 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.892 -0.595 . . . . 19.24 110.596 179.791 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 76.8 m-20 -51.14 -42.29 60.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.318 -0.401 . . . . 13.45 110.506 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 20.4 m -61.05 -66.5 0.52 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 9.98 110.016 179.326 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.776 HD12 ' HB2' ' B' ' 62' ' ' GLN . 12.0 mt -54.32 -33.27 58.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.037 -0.529 . . . . 17.55 110.63 179.529 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.406 ' HB2' ' O ' ' A' ' 71' ' ' PHE . 0.5 OUTLIER -57.97 -61.11 2.78 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.923 -0.58 . . . . 20.18 110.302 179.672 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.88 -31.87 68.68 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.03 -0.532 . . . . 17.4 110.677 179.586 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.545 ' O ' HD12 ' A' ' 77' ' ' LEU . 3.3 tp -65.31 -46.13 81.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.035 -0.53 . . . . 19.76 110.536 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.431 ' OH ' HG13 ' D' ' 70' ' ' VAL . 21.4 m-30 -71.99 -24.65 61.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 26.81 110.629 179.479 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -74.79 -28.31 60.68 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.168 -0.469 . . . . 27.12 110.594 179.673 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 2.9 tptp -67.98 -35.67 78.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.061 -0.518 . . . . 31.23 110.911 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.786 ' O ' HG21 ' D' ' 81' ' ' THR . 9.1 p -65.82 -41.38 91.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 34.63 110.847 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 31.5 p . . . . . 0 C--O 1.249 1.079 0 CA-C-O 118.262 -0.875 . . . . 39.47 110.956 179.975 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 12.6 mtp180 . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.763 0.316 . . . . 40.9 111.249 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -112.19 22.58 14.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 40.02 111.031 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -62.83 -25.69 68.38 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.37 -0.377 . . . . 32.92 110.809 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -54.71 -40.28 69.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 31.14 111.086 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -68.55 -42.94 77.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 32.28 110.71 179.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 49.9 mtt180 -61.21 -37.33 82.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 22.98 110.655 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . 0.825 HD22 HG23 ' D' ' 73' ' ' THR . 16.6 mt -64.57 -61.35 2.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.03 -0.532 . . . . 18.84 110.705 179.789 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -45.4 -29.44 1.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.918 -0.583 . . . . 19.22 110.995 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -73.6 -39.01 64.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.989 -0.551 . . . . 25.42 110.395 179.633 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' B' ' 58' ' ' LEU . 31.5 mm-40 -70.6 -35.8 73.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 17.53 110.566 179.645 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . 0.918 ' O ' HG23 ' B' ' 66' ' ' VAL . 12.7 mm-40 -69.32 -38.57 78.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.027 -0.533 . . . . 13.95 110.554 179.736 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 63' ' ' SER . . . . . 0.409 ' HB2' ' HB2' ' A' ' 67' ' ' LYS . 0.1 OUTLIER -61.74 -62.09 2.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.086 -0.507 . . . . 13.06 110.68 179.881 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -49.7 -35.31 21.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 8.35 110.694 179.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.07 -48.59 65.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.995 -0.548 . . . . 6.34 110.549 179.74 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . 0.918 HG23 ' O ' ' B' ' 62' ' ' GLN . 21.9 t -64.13 -32.47 57.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.081 -0.509 . . . . 5.29 110.938 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 4.5 tttt -59.53 -59.9 4.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.069 -0.514 . . . . 11.1 110.871 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 1.2 tttp -54.02 -30.48 47.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.353 -0.385 . . . . 18.38 110.646 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 69' ' ' MET . . . . . 0.756 ' HE2' HG13 ' B' ' 66' ' ' VAL . 58.2 ttp -69.05 -52.04 32.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 12.92 110.639 179.799 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.486 HG13 ' OH ' ' C' ' 78' ' ' TYR . 62.9 t -75.73 -23.18 16.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.151 -0.477 . . . . 15.03 111.018 179.756 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -62.8 -44.79 95.22 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.181 -0.463 . . . . 23.87 110.51 179.726 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -67.91 -46.9 70.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.095 -0.502 . . . . 27.5 110.618 179.694 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 73' ' ' THR . . . . . 0.82 HG23 HD22 ' D' ' 58' ' ' LEU . 99.1 m -53.65 -47.93 69.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 23.27 110.672 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 74' ' ' LEU . . . . . 0.481 HD13 ' HB2' ' A' ' 62' ' ' GLN . 20.9 mt -62.43 -38.0 88.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.095 -0.502 . . . . 21.44 110.633 179.827 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -50.7 -42.37 56.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 25.66 110.688 179.779 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -78.93 -28.2 43.75 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.978 -0.555 . . . . 30.17 110.629 179.734 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.469 HD12 ' HA ' ' B' ' 74' ' ' LEU . 38.5 mt -66.53 -46.48 76.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.029 -0.532 . . . . 29.97 110.819 179.787 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 78' ' ' TYR . . . . . 0.435 ' CE2' ' HB3' ' A' ' 58' ' ' LEU . 13.6 m-85 -78.29 -25.58 46.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.111 -0.495 . . . . 31.17 110.937 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -49.89 -51.41 40.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 40.47 110.858 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 30.3 tptt -66.48 -62.94 1.2 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.117 -0.492 . . . . 39.37 110.745 179.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . 0.722 HG21 ' O ' ' C' ' 81' ' ' THR . 3.0 t -82.66 68.27 9.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 37.9 110.952 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.232 -0.889 . . . . 44.55 110.967 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 52' ' ' ARG . . . . . . . . . . . . . 49.4 mtt180 . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 120.763 0.316 . . . . 44.49 111.179 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 53' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -116.1 84.58 2.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.238 -0.437 . . . . 40.06 110.843 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 54' ' ' ASP . . . . . 0.402 ' O ' ' HG ' ' C' ' 58' ' ' LEU . 10.5 p-10 -69.46 -40.44 77.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.133 -0.485 . . . . 37.04 111.01 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . -53.95 -31.13 49.43 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.399 -0.364 . . . . 33.73 110.891 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -78.51 -51.01 10.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 29.31 110.46 179.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.99 -44.96 94.18 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.964 -0.562 . . . . 36.74 110.458 179.688 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 58' ' ' LEU . . . . . 0.492 ' HB3' ' CE2' ' D' ' 78' ' ' TYR . 27.3 mt -55.69 -53.16 59.97 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.785 -0.643 . . . . 24.37 110.812 179.768 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -49.91 -34.66 21.05 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.121 -0.49 . . . . 20.03 111.025 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -76.49 -28.98 56.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.054 -0.521 . . . . 21.21 110.641 179.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -74.43 -59.77 2.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.085 -0.507 . . . . 23.28 110.721 179.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 62' ' ' GLN . . . . . 0.525 ' HB2' HD13 ' D' ' 74' ' ' LEU . 42.2 mm-40 -50.87 -45.45 59.93 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.95 -0.568 . . . . 25.0 110.852 179.775 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 63' ' ' SER . . . . . . . . . . . . . 26.1 p -60.81 -43.73 97.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 16.52 110.763 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 64' ' ' GLU . . . . . 0.424 ' HA ' ' HG2' ' C' ' 67' ' ' LYS . 0.6 OUTLIER -57.19 -36.58 71.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 24.45 110.653 179.919 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' C' C ' 65' ' ' LEU . . . . . 0.445 HD12 ' HA ' ' C' ' 62' ' ' GLN . 23.9 mt -65.27 -36.36 83.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.274 -0.421 . . . . 16.06 110.48 179.658 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 66' ' ' VAL . . . . . . . . . . . . . 57.5 t -70.7 -42.64 77.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.96 -0.564 . . . . 14.23 110.931 179.743 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 67' ' ' LYS . . . . . 0.434 ' HG3' ' N ' ' C' ' 68' ' ' LYS . 0.0 OUTLIER -63.81 -29.18 70.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.458 . . . . 14.89 110.749 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' C' C ' 68' ' ' LYS . . . . . 0.434 ' N ' ' HG3' ' C' ' 67' ' ' LYS . 0.0 OUTLIER -73.6 -42.96 60.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.495 . . . . 12.3 110.305 179.588 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' C' C ' 69' ' ' MET . . . . . . . . . . . . . 46.9 ttp -64.57 -46.31 83.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.027 -0.533 . . . . 7.63 110.138 179.304 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -66.85 -43.13 89.81 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.28 0 CA-C-N 116.024 -0.534 . . . . 8.03 110.401 179.468 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 71' ' ' PHE . . . . . 0.431 ' CE1' ' OD1' ' D' ' 60' ' ' ASP . 60.8 t80 -47.33 -64.75 0.7 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.954 -0.567 . . . . 8.56 110.637 179.758 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -51.08 -42.37 60.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.398 -0.365 . . . . 11.33 110.561 179.738 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 73' ' ' THR . . . . . . . . . . . . . 20.5 m -60.89 -66.67 0.5 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.21 -0.45 . . . . 13.25 110.032 179.307 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 74' ' ' LEU . . . . . 0.789 HD12 ' HB2' ' D' ' 62' ' ' GLN . 12.2 mt -54.04 -33.42 57.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.983 -0.553 . . . . 14.77 110.647 179.456 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 75' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -57.85 -61.22 2.69 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.908 -0.587 . . . . 13.15 110.265 179.771 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 76' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.83 -31.82 68.66 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.952 -0.567 . . . . 16.27 110.719 179.573 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 77' ' ' LEU . . . . . 0.548 ' O ' HD12 ' C' ' 77' ' ' LEU . 3.3 tp -65.32 -46.28 80.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.038 -0.528 . . . . 21.17 110.524 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 78' ' ' TYR . . . . . 0.486 ' OH ' HG13 ' B' ' 70' ' ' VAL . 21.3 m-30 -71.88 -24.85 61.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 23.48 110.556 179.597 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -74.6 -28.37 60.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 30.72 110.587 179.669 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 2.9 tptp -67.99 -35.54 78.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.15 -0.477 . . . . 26.96 110.924 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 81' ' ' THR . . . . . 0.722 ' O ' HG21 ' B' ' 81' ' ' THR . 9.0 p -65.9 -41.2 91.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 32.65 110.858 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 82' ' ' THR . . . . . . . . . . . . . 31.8 p . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.258 -0.877 . . . . 35.86 110.948 -179.973 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' D' D ' 52' ' ' ARG . . . . . . . . . . . . . 12.6 mtp180 . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 120.875 0.369 . . . . 45.38 111.179 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' D' D ' 53' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -112.28 22.59 14.57 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.194 -0.457 . . . . 40.49 110.973 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -62.81 -25.64 68.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.903 0.382 . . . . 34.98 110.828 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 55' ' ' ALA . . . . . . . . . . . . . . . -54.59 -40.34 68.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.062 -0.517 . . . . 31.72 111.122 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -68.67 -42.71 77.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 32.79 110.724 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 57' ' ' ARG . . . . . . . . . . . . . 49.8 mtt180 -61.43 -37.22 82.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 32.27 110.631 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 58' ' ' LEU . . . . . 0.82 HD22 HG23 ' B' ' 73' ' ' THR . 16.5 mt -64.58 -61.47 2.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.054 -0.521 . . . . 22.46 110.657 179.781 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 59' ' ' ALA . . . . . . . . . . . . . . . -45.18 -29.46 0.95 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.867 -0.606 . . . . 18.92 111.072 179.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 60' ' ' ASP . . . . . 0.431 ' OD1' ' CE1' ' C' ' 71' ' ' PHE . 0.3 OUTLIER -73.45 -39.45 64.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.939 -0.573 . . . . 19.17 110.397 179.547 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' D' D ' 61' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' D' ' 58' ' ' LEU . 32.0 mm-40 -70.4 -35.63 73.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.064 -0.516 . . . . 11.91 110.527 179.651 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 62' ' ' GLN . . . . . 0.899 ' O ' HG23 ' D' ' 66' ' ' VAL . 12.6 mm-40 -69.25 -38.58 78.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 11.63 110.595 179.735 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 63' ' ' SER . . . . . 0.403 ' HB2' ' HB2' ' C' ' 67' ' ' LYS . 0.1 OUTLIER -61.81 -62.2 1.97 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.027 -0.533 . . . . 16.75 110.737 179.873 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' D' D ' 64' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -49.67 -35.19 20.67 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.166 -0.47 . . . . 18.35 110.706 179.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.22 -48.52 64.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.035 -0.53 . . . . 9.83 110.567 179.703 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 66' ' ' VAL . . . . . 0.899 HG23 ' O ' ' D' ' 62' ' ' GLN . 22.0 t -64.11 -32.54 57.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 8.45 111.002 179.785 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 67' ' ' LYS . . . . . . . . . . . . . 4.5 tttt -59.5 -59.79 4.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 17.83 110.877 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 68' ' ' LYS . . . . . . . . . . . . . 1.2 tttp -54.05 -30.4 47.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.36 -0.382 . . . . 10.41 110.658 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 69' ' ' MET . . . . . 0.729 ' HE2' HG13 ' D' ' 66' ' ' VAL . 58.2 ttp -68.97 -52.2 31.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 11.05 110.564 179.79 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 70' ' ' VAL . . . . . 0.431 HG13 ' OH ' ' A' ' 78' ' ' TYR . 59.5 t -75.63 -23.24 16.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.085 -0.507 . . . . 11.69 111.058 179.83 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -62.74 -44.7 95.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.223 -0.444 . . . . 18.55 110.545 179.731 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -68.02 -47.06 69.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.083 -0.508 . . . . 23.9 110.577 179.719 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 73' ' ' THR . . . . . 0.825 HG23 HD22 ' B' ' 58' ' ' LEU . 99.9 m -53.54 -47.86 69.6 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.152 -0.476 . . . . 21.78 110.775 179.806 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 74' ' ' LEU . . . . . 0.525 HD13 ' HB2' ' C' ' 62' ' ' GLN . 20.7 mt -62.44 -37.99 88.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 26.7 110.674 179.741 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 75' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -50.79 -42.32 57.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 29.8 110.688 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 76' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -78.77 -28.44 44.77 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.005 -0.543 . . . . 29.34 110.604 179.645 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 77' ' ' LEU . . . . . 0.47 HD12 ' HA ' ' D' ' 74' ' ' LEU . 38.4 mt -66.38 -46.5 76.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.941 -0.572 . . . . 28.38 110.817 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 78' ' ' TYR . . . . . 0.492 ' CE2' ' HB3' ' C' ' 58' ' ' LEU . 13.4 m-85 -78.25 -25.7 46.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.114 -0.494 . . . . 34.31 110.8 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 79' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -49.78 -51.54 38.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 40.15 110.833 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 80' ' ' LYS . . . . . . . . . . . . . 30.3 tptt -66.37 -62.97 1.18 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.089 -0.505 . . . . 43.53 110.787 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 81' ' ' THR . . . . . 0.786 HG21 ' O ' ' A' ' 81' ' ' THR . 3.0 t -82.62 68.24 9.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 39.47 110.923 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 82' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.219 -0.896 . . . . 47.82 110.962 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 5.0 mtt180 . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.846 0.355 . . . . 46.46 111.187 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -139.21 79.47 1.73 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 35.37 111.034 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -60.3 -30.59 69.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 36.85 110.871 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.88 -37.21 86.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.291 -0.413 . . . . 30.25 110.672 179.645 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -63.45 -56.49 15.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.992 -0.549 . . . . 26.39 110.427 179.662 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -65.16 -48.06 74.86 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.884 -0.598 . . . . 26.12 110.298 179.446 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.632 ' C ' HD13 ' A' ' 58' ' ' LEU . 1.7 tm? -53.59 -49.11 68.47 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.758 -0.656 . . . . 26.92 110.591 179.466 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.433 ' N ' HD13 ' A' ' 58' ' ' LEU . . . -55.52 -34.14 64.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.038 -0.528 . . . . 24.78 110.994 179.722 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -60.38 -45.31 93.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 26.02 110.715 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.45 -53.47 50.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 27.36 110.83 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 8.8 mp0 -54.01 -45.48 71.51 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.949 -0.568 . . . . 20.59 110.851 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 49.2 m -59.14 -38.13 78.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 16.32 110.778 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -60.18 -35.49 75.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 18.73 110.869 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 7.9 mt -67.7 -39.49 84.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 15.81 110.78 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 26.1 t -73.21 -44.68 55.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.074 -0.512 . . . . 10.3 111.319 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 71.4 tttt -60.65 -50.5 73.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.349 -0.387 . . . . 19.29 110.68 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 22.9 mtmt -55.9 -32.66 63.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 20.74 110.368 179.521 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 61.0 ttp -67.19 -41.95 85.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.945 -0.57 . . . . 7.72 110.712 179.712 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.434 HG21 HG21 ' B' ' 66' ' ' VAL . 79.4 t -71.53 -44.35 70.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 4.31 111.064 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.427 ' O ' ' CB ' ' A' ' 75' ' ' LYS . 19.6 t80 -50.88 -62.08 1.82 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.5 -0.318 . . . . 12.99 110.65 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -52.53 -42.93 64.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.477 -0.329 . . . . 7.83 110.481 179.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 19.5 m -63.29 -71.44 0.17 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.96 0.41 . . . . 13.78 110.204 179.528 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.765 HD12 ' HB2' ' B' ' 62' ' ' GLN . 14.2 mt -50.33 -37.66 37.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.983 -0.553 . . . . 19.09 110.932 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.427 ' CB ' ' O ' ' A' ' 71' ' ' PHE . 37.0 ttpt -52.43 -67.71 0.23 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.945 -0.571 . . . . 19.43 110.398 179.62 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.89 -28.91 69.29 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.58 -0.736 . . . . 15.14 111.035 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.457 ' HB3' ' HA ' ' A' ' 74' ' ' LEU . 2.7 tp -66.8 -65.79 0.64 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.335 -0.393 . . . . 19.68 110.904 -179.813 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.553 ' CD1' HD11 ' D' ' 77' ' ' LEU . 18.9 m-30 -50.73 -31.72 17.45 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.445 -0.343 . . . . 25.64 110.907 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.33 -24.39 66.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.279 -0.419 . . . . 27.12 110.916 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.98 -47.15 78.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 29.79 111.064 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.457 ' OG1' HD22 ' D' ' 77' ' ' LEU . 49.0 p -55.03 -61.3 2.4 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.007 -0.542 . . . . 34.3 110.892 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 74.1 p . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.187 -0.911 . . . . 40.06 110.957 -179.993 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.791 0.329 . . . . 43.55 111.19 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -98.09 20.93 11.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.299 -0.409 . . . . 41.63 110.987 179.812 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . 0.404 ' O ' ' HG2' ' B' ' 57' ' ' ARG . 16.2 m-20 -63.77 -25.56 68.24 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.391 -0.368 . . . . 34.58 110.642 179.77 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -54.3 -39.8 67.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.073 -0.512 . . . . 33.31 111.013 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -63.79 -62.63 1.52 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 30.16 110.779 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 57' ' ' ARG . . . . . 0.423 ' HG3' ' N ' ' B' ' 58' ' ' LEU . 0.6 OUTLIER -51.0 -39.66 56.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.295 -0.412 . . . . 24.95 110.674 179.881 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . 0.763 HD22 HG23 ' D' ' 73' ' ' THR . 3.9 mt -59.98 -59.84 4.77 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.03 -0.532 . . . . 18.82 110.668 179.783 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -47.33 -35.3 7.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.89 -0.595 . . . . 17.61 110.979 179.796 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 62.6 t0 -60.77 -51.16 70.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.061 -0.518 . . . . 21.97 110.696 179.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -56.68 -35.64 68.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 15.77 110.512 179.643 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . 0.765 ' HB2' HD12 ' A' ' 74' ' ' LEU . 3.2 mm-40 -69.81 -53.17 19.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.97 -0.559 . . . . 14.89 110.625 179.667 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -52.08 -57.84 8.36 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.116 -0.493 . . . . 13.83 110.643 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -51.63 -34.02 35.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 11.77 110.57 179.662 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.48 -42.8 82.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.984 -0.553 . . . . 5.46 110.566 179.683 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . 0.635 HG23 ' O ' ' B' ' 62' ' ' GLN . 3.9 t -65.52 -42.55 93.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.068 -0.515 . . . . 7.31 110.949 179.78 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 2.4 tttt -55.89 -55.92 26.82 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.037 -0.529 . . . . 19.24 110.784 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.36 -35.11 67.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 18.3 110.596 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 69' ' ' MET . . . . . 0.445 ' CE ' ' HB3' ' D' ' 62' ' ' GLN . 32.4 ttp -70.84 -49.69 43.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.981 -0.554 . . . . 12.68 110.805 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 82.2 t -74.18 -21.17 17.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.106 -0.497 . . . . 15.09 111.17 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 81.8 t80 -69.14 -45.18 70.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.385 -0.37 . . . . 24.38 110.693 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -65.15 -41.11 95.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.086 -0.507 . . . . 28.03 110.697 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 73' ' ' THR . . . . . 0.758 HG23 HD22 ' D' ' 58' ' ' LEU . 22.9 m -59.27 -46.64 87.98 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.193 -0.458 . . . . 20.22 110.771 179.81 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 74' ' ' LEU . . . . . 0.778 HD23 HD12 ' B' ' 77' ' ' LEU . 20.6 mt -59.19 -44.57 92.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 21.62 110.781 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 26.4 tttt -51.19 -42.79 61.11 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.298 -0.41 . . . . 28.56 110.549 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -74.83 -32.41 61.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.983 -0.553 . . . . 30.94 110.417 179.607 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.778 HD12 HD23 ' B' ' 74' ' ' LEU . 15.3 mt -61.37 -44.98 96.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.954 -0.566 . . . . 30.38 110.739 179.696 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 78' ' ' TYR . . . . . 0.497 ' CE2' HG22 ' C' ' 81' ' ' THR . 4.6 m-85 -79.62 -40.85 28.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.118 -0.492 . . . . 33.18 110.721 179.758 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 79' ' ' LYS . . . . . 0.451 ' O ' HG23 ' B' ' 82' ' ' THR . 7.6 ttmt -53.08 -28.43 25.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 39.59 110.776 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.33 -57.2 6.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 41.84 110.849 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 29.9 p -68.53 63.2 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 41.18 111.058 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.451 HG23 ' O ' ' B' ' 79' ' ' LYS . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.197 -0.906 . . . . 48.38 110.831 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 52' ' ' ARG . . . . . . . . . . . . . 5.0 mtt180 . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.861 0.362 . . . . 44.36 111.295 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 53' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -139.26 79.53 1.73 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 39.76 111.013 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -60.35 -30.82 69.79 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.217 -0.447 . . . . 40.17 110.763 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.83 -36.97 84.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.318 -0.401 . . . . 34.81 110.673 179.704 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -63.63 -56.35 16.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.053 -0.521 . . . . 29.89 110.371 179.616 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 57' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -65.27 -48.22 73.97 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.888 -0.596 . . . . 37.84 110.219 179.502 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 58' ' ' LEU . . . . . 0.629 HD13 ' C ' ' C' ' 58' ' ' LEU . 1.6 tm? -53.48 -48.98 68.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.761 -0.654 . . . . 28.85 110.549 179.551 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 59' ' ' ALA . . . . . 0.42 ' N ' HD13 ' C' ' 58' ' ' LEU . . . -55.72 -34.15 64.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.075 -0.511 . . . . 21.68 110.936 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -60.38 -45.23 94.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 18.24 110.749 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.41 -53.52 50.01 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.071 -0.513 . . . . 20.32 110.914 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 8.9 mp0 -53.9 -45.57 71.15 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.944 -0.571 . . . . 23.4 110.882 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 63' ' ' SER . . . . . . . . . . . . . 49.4 m -59.01 -38.32 78.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 17.81 110.765 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -60.04 -35.33 74.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.103 -0.499 . . . . 26.49 110.947 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 65' ' ' LEU . . . . . . . . . . . . . 7.7 mt -67.88 -39.69 83.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 19.47 110.701 179.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 66' ' ' VAL . . . . . . . . . . . . . 25.8 t -73.03 -44.83 56.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.136 -0.484 . . . . 14.89 111.188 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 67' ' ' LYS . . . . . 0.4 ' CG ' ' HB3' ' D' ' 63' ' ' SER . 71.5 tttt -60.58 -50.29 74.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.31 -0.405 . . . . 8.29 110.729 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 68' ' ' LYS . . . . . . . . . . . . . 23.2 mtmt -56.07 -32.8 64.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.334 -0.393 . . . . 13.74 110.245 179.578 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 69' ' ' MET . . . . . . . . . . . . . 61.2 ttp -67.05 -41.99 85.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.978 -0.555 . . . . 8.38 110.736 179.796 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 70' ' ' VAL . . . . . 0.426 HG21 HG21 ' D' ' 66' ' ' VAL . 77.0 t -71.55 -44.31 70.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.086 -0.506 . . . . 9.36 110.989 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 71' ' ' PHE . . . . . 0.433 ' O ' ' CB ' ' C' ' 75' ' ' LYS . 19.8 t80 -50.89 -62.2 1.75 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.513 -0.312 . . . . 16.88 110.616 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 47.9 m-20 -52.39 -42.94 64.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.771 0.32 . . . . 15.0 110.497 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 73' ' ' THR . . . . . . . . . . . . . 20.0 m -63.52 -71.44 0.17 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.225 -0.443 . . . . 9.7 110.208 179.531 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 74' ' ' LEU . . . . . 0.726 HD12 ' HB2' ' D' ' 62' ' ' GLN . 15.2 mt -50.3 -37.29 35.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.079 -0.51 . . . . 13.0 110.876 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 75' ' ' LYS . . . . . 0.433 ' CB ' ' O ' ' C' ' 71' ' ' PHE . 37.0 ttpt -52.84 -67.81 0.22 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.008 -0.542 . . . . 15.7 110.423 179.581 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 76' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.84 -28.8 69.25 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.598 -0.728 . . . . 18.44 111.11 179.787 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 77' ' ' LEU . . . . . 0.445 HD12 ' C ' ' C' ' 77' ' ' LEU . 2.7 tp -66.79 -65.8 0.64 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.456 -0.338 . . . . 21.32 110.879 -179.827 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 78' ' ' TYR . . . . . 0.637 ' CD1' HD11 ' B' ' 77' ' ' LEU . 19.2 m-30 -50.67 -31.93 17.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.9 0.381 . . . . 27.17 110.917 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.11 -24.5 66.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 24.44 110.886 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.88 -47.23 78.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 29.82 111.032 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 81' ' ' THR . . . . . 0.497 HG22 ' CE2' ' B' ' 78' ' ' TYR . 49.8 p -54.92 -61.41 2.33 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.027 -0.533 . . . . 33.42 110.875 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 82' ' ' THR . . . . . . . . . . . . . 74.1 p . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.204 -0.903 . . . . 38.2 111.005 179.974 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' D' D ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.729 0.3 . . . . 42.57 111.256 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 53' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -98.01 20.88 11.5 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.368 -0.378 . . . . 38.32 111.05 179.771 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 54' ' ' ASP . . . . . 0.404 ' HA ' ' HG2' ' D' ' 57' ' ' ARG . 16.4 m-20 -63.68 -25.59 68.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.841 0.353 . . . . 33.14 110.65 179.765 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 55' ' ' ALA . . . . . 0.418 ' HB1' ' HB2' ' C' ' 78' ' ' TYR . . . -54.35 -39.75 67.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.499 . . . . 29.38 111.076 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -63.78 -62.6 1.55 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.127 -0.488 . . . . 32.92 110.875 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 57' ' ' ARG . . . . . 0.426 ' HG3' ' N ' ' D' ' 58' ' ' LEU . 0.6 OUTLIER -50.99 -39.7 56.25 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.227 -0.442 . . . . 25.46 110.682 179.831 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' D' D ' 58' ' ' LEU . . . . . 0.758 HD22 HG23 ' B' ' 73' ' ' THR . 3.7 mt -60.02 -59.32 5.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.936 -0.574 . . . . 22.32 110.706 179.784 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 59' ' ' ALA . . . . . . . . . . . . . . . -47.71 -35.55 9.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.81 -0.632 . . . . 20.33 111.064 179.796 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 60' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -60.64 -50.99 71.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.972 -0.558 . . . . 19.93 110.684 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 61' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -56.82 -35.5 68.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.205 -0.452 . . . . 13.81 110.494 179.635 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 62' ' ' GLN . . . . . 0.726 ' HB2' HD12 ' C' ' 74' ' ' LEU . 3.2 mm-40 -69.98 -53.02 19.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.018 -0.537 . . . . 10.36 110.637 179.711 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 63' ' ' SER . . . . . 0.4 ' HB3' ' CG ' ' C' ' 67' ' ' LYS . 0.7 OUTLIER -51.97 -58.07 7.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 16.11 110.558 179.79 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' D' D ' 64' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -51.38 -33.94 32.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.114 -0.494 . . . . 15.85 110.673 179.652 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.78 -42.73 81.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.031 -0.532 . . . . 9.83 110.53 179.718 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 66' ' ' VAL . . . . . 0.626 HG23 ' O ' ' D' ' 62' ' ' GLN . 4.0 t -65.49 -42.33 92.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 7.75 111.048 179.783 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 67' ' ' LYS . . . . . . . . . . . . . 2.4 tttt -55.98 -55.86 27.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.97 -0.559 . . . . 10.01 110.874 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.33 -35.31 67.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 10.11 110.664 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 69' ' ' MET . . . . . 0.438 ' CE ' ' HB3' ' B' ' 62' ' ' GLN . 33.4 ttp -70.64 -49.52 46.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.006 -0.543 . . . . 11.29 110.885 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 70' ' ' VAL . . . . . . . . . . . . . 81.4 t -74.28 -21.31 17.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.078 -0.51 . . . . 11.03 111.234 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -69.07 -45.1 71.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.307 -0.406 . . . . 17.75 110.675 179.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -65.16 -41.35 94.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 24.27 110.671 179.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 73' ' ' THR . . . . . 0.763 HG23 HD22 ' B' ' 58' ' ' LEU . 23.5 m -59.01 -46.65 87.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.455 . . . . 24.8 110.773 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 74' ' ' LEU . . . . . 0.783 HD23 HD12 ' D' ' 77' ' ' LEU . 20.8 mt -59.15 -44.74 92.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.107 -0.497 . . . . 26.85 110.741 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 75' ' ' LYS . . . . . . . . . . . . . 26.2 tttt -51.05 -42.88 60.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.309 -0.405 . . . . 27.36 110.511 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 76' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -74.72 -32.56 62.17 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.983 -0.553 . . . . 28.0 110.396 179.617 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 77' ' ' LEU . . . . . 0.783 HD12 HD23 ' D' ' 74' ' ' LEU . 15.1 mt -61.19 -45.07 96.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.936 -0.575 . . . . 28.9 110.669 179.756 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 78' ' ' TYR . . . . . 0.446 ' CE2' HG22 ' A' ' 81' ' ' THR . 4.6 m-85 -79.66 -40.78 28.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.046 -0.525 . . . . 33.72 110.732 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 79' ' ' LYS . . . . . 0.471 ' O ' HG23 ' D' ' 82' ' ' THR . 7.6 ttmt -53.08 -28.5 25.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.114 -0.494 . . . . 44.66 110.806 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.33 -57.37 6.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.104 -0.498 . . . . 41.66 110.787 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 81' ' ' THR . . . . . . . . . . . . . 29.8 p -68.42 63.16 0.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 41.3 111.044 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 82' ' ' THR . . . . . 0.471 HG23 ' O ' ' D' ' 79' ' ' LYS . 0.6 OUTLIER . . . . . 0 C--O 1.25 1.09 0 CA-C-O 118.21 -0.9 . . . . 49.19 110.875 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.3 ttt85 . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.785 0.326 . . . . 43.81 111.165 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -150.0 96.41 2.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 40.27 110.992 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.421 ' O ' ' CB ' ' A' ' 58' ' ' LEU . 7.0 p-10 -73.81 -25.86 60.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 37.63 110.801 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.71 -38.6 91.55 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.396 -0.366 . . . . 34.12 110.921 179.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -62.82 -53.87 47.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.429 . . . . 29.65 110.373 179.64 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 2.8 tpp180 -67.89 -45.02 75.62 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.884 -0.598 . . . . 35.78 110.252 179.443 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.638 ' C ' HD13 ' A' ' 58' ' ' LEU . 2.4 tm? -58.14 -42.97 87.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.828 -0.624 . . . . 25.36 110.903 179.653 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.79 -35.28 79.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 20.47 111.281 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -61.77 -39.51 91.91 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.251 -0.431 . . . . 20.46 110.934 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -65.83 -54.0 32.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 22.0 110.991 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.556 ' O ' HG23 ' A' ' 66' ' ' VAL . 79.4 mm-40 -51.63 -42.78 62.27 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.022 -0.535 . . . . 24.43 110.964 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 68.5 p -70.22 -33.14 71.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 17.08 110.876 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -63.28 -51.96 63.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 24.85 110.73 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 8.6 mt -53.72 -46.43 70.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.086 -0.507 . . . . 17.27 110.566 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.556 HG23 ' O ' ' A' ' 62' ' ' GLN . 48.2 t -59.7 -48.3 88.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 14.8 110.644 179.481 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.465 ' HG3' ' CB ' ' B' ' 63' ' ' SER . 23.6 tttt -56.66 -41.27 76.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.846 -0.616 . . . . 12.32 110.612 179.74 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.43 -42.99 98.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 12.38 110.524 179.592 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 53.8 ttp -60.61 -39.5 88.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.025 -0.534 . . . . 7.62 110.638 179.656 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 60.5 t -70.71 -45.25 74.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.485 . . . . 9.08 110.714 179.756 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.433 ' O ' ' CB ' ' A' ' 75' ' ' LYS . 46.4 t80 -51.62 -61.0 2.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.496 -0.32 . . . . 10.9 110.468 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 36.3 m-20 -52.45 -40.62 62.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.375 -0.375 . . . . 11.01 110.385 179.672 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.1 m -65.68 -72.38 0.16 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 12.2 110.22 179.408 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.774 HD12 ' HB2' ' B' ' 62' ' ' GLN . 13.1 mt -50.11 -35.32 25.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 13.96 110.904 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.433 ' CB ' ' O ' ' A' ' 71' ' ' PHE . 13.4 ttpt -53.62 -67.48 0.25 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.117 -0.492 . . . . 12.95 110.198 179.491 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -63.81 -33.21 75.17 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.635 -0.711 . . . . 16.5 110.788 179.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.632 ' C ' HD12 ' A' ' 77' ' ' LEU . 0.6 OUTLIER -63.36 -63.94 1.04 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.465 -0.334 . . . . 20.92 110.512 179.916 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.513 ' HE1' HG13 ' D' ' 70' ' ' VAL . 16.7 m-30 -53.34 -27.05 21.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.881 0.372 . . . . 24.52 110.591 179.584 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 9.7 mttt -63.37 -36.11 82.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.101 -0.5 . . . . 25.28 110.443 179.691 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.16 -27.05 66.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.959 -0.564 . . . . 27.39 110.779 179.794 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.442 HG22 ' CE1' ' D' ' 78' ' ' TYR . 0.0 OUTLIER -76.29 -42.4 45.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.013 -0.54 . . . . 33.53 110.824 179.837 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 15.2 t . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.276 -0.868 . . . . 36.55 110.831 179.939 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 8.7 mtt85 . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.663 0.268 . . . . 46.36 111.243 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 53' ' ' ASN . . . . . 0.722 ' OD1' ' HB3' ' B' ' 55' ' ' ALA . 7.1 p30 44.88 -172.08 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 116.073 -0.512 . . . . 40.83 111.34 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -81.41 -25.98 35.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.334 -0.394 . . . . 34.83 111.058 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 55' ' ' ALA . . . . . 0.722 ' HB3' ' OD1' ' B' ' 53' ' ' ASN . . . -60.03 -51.59 69.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.37 -0.377 . . . . 31.49 110.946 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.97 -47.75 83.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.272 -0.422 . . . . 32.7 110.387 179.545 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 57' ' ' ARG . . . . . 0.405 ' O ' ' HB3' ' B' ' 60' ' ' ASP . 20.7 tpp180 -59.44 -40.21 86.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.041 -0.527 . . . . 30.13 110.238 179.387 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . 0.799 HD22 HG23 ' D' ' 73' ' ' THR . 3.2 mt -58.22 -61.98 2.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.744 -0.662 . . . . 23.23 110.459 179.439 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -45.68 -29.31 1.22 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.696 -0.683 . . . . 19.68 111.183 179.651 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 60' ' ' ASP . . . . . 0.405 ' HB3' ' O ' ' B' ' 57' ' ' ARG . 24.1 t0 -61.82 -53.72 52.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.023 -0.535 . . . . 17.52 110.665 179.83 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . 0.411 ' HG3' ' N ' ' B' ' 62' ' ' GLN . 1.6 pt-20 -60.13 -28.91 68.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 11.65 110.707 179.774 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . 0.774 ' HB2' HD12 ' A' ' 74' ' ' LEU . 15.3 mm-40 -72.21 -48.43 43.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.924 0.392 . . . . 11.49 110.761 179.736 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 63' ' ' SER . . . . . 0.465 ' CB ' ' HG3' ' A' ' 67' ' ' LYS . 0.8 OUTLIER -57.12 -56.19 24.96 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.136 -0.484 . . . . 17.06 110.859 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . 0.432 ' HG3' ' N ' ' B' ' 65' ' ' LEU . 7.9 pt-20 -50.9 -35.57 33.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 17.49 110.78 179.8 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . 0.432 ' N ' ' HG3' ' B' ' 64' ' ' GLU . 0.1 OUTLIER -66.26 -38.29 87.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.49 . . . . 10.02 110.883 179.832 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . 0.543 HG23 ' O ' ' B' ' 62' ' ' GLN . 24.3 t -69.18 -37.28 76.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.242 -0.435 . . . . 8.85 111.222 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 10.7 tttt -59.44 -58.88 6.65 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.205 -0.452 . . . . 16.27 111.017 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 45.4 tttt -54.76 -31.02 58.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.336 -0.393 . . . . 10.15 110.752 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 69' ' ' MET . . . . . . . . . . . . . 47.8 ttp -69.08 -51.42 38.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.481 . . . . 11.03 110.762 179.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.45 HG13 ' HE1' ' C' ' 78' ' ' TYR . 60.2 t -77.23 -20.3 14.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 11.34 111.019 179.757 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -64.4 -52.73 56.72 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.369 -0.378 . . . . 18.47 110.749 179.753 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 42.4 t0 -65.44 -40.24 93.04 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.13 -0.486 . . . . 24.53 110.706 179.728 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 73' ' ' THR . . . . . 0.814 HG23 HD22 ' D' ' 58' ' ' LEU . 16.2 m -53.42 -60.22 3.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 23.36 110.828 179.686 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 74' ' ' LEU . . . . . 0.603 ' HA ' HD12 ' B' ' 77' ' ' LEU . 28.7 mt -50.78 -39.04 51.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.119 -0.491 . . . . 27.64 110.949 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.28 -47.13 55.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 29.86 110.749 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -73.33 -26.8 61.19 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.993 -0.548 . . . . 29.69 110.604 179.724 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.603 HD12 ' HA ' ' B' ' 74' ' ' LEU . 20.3 mt -66.83 -42.47 85.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.048 -0.524 . . . . 29.36 110.762 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 78' ' ' TYR . . . . . 0.614 ' CE1' HD12 ' A' ' 58' ' ' LEU . 9.2 m-85 -82.52 -36.13 26.66 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.077 -0.511 . . . . 35.49 110.94 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 3.8 tttp -59.53 -48.68 80.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 43.5 110.849 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 74.0 tttt -54.98 -67.64 0.25 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.082 -0.508 . . . . 44.0 110.888 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . 0.469 HG23 ' O ' ' B' ' 81' ' ' THR . 6.1 t -83.96 73.13 10.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 41.94 111.137 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.183 -0.913 . . . . 49.44 110.909 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 52' ' ' ARG . . . . . . . . . . . . . 1.4 ttt85 . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.793 0.33 . . . . 46.85 111.152 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 53' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -150.18 96.45 2.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 37.05 110.981 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 54' ' ' ASP . . . . . 0.424 ' O ' ' CB ' ' C' ' 58' ' ' LEU . 7.0 p-10 -73.84 -25.94 60.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 38.79 110.883 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.72 -38.52 91.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.224 -0.443 . . . . 31.27 110.889 179.754 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -62.8 -53.94 46.63 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.014 0.435 . . . . 27.73 110.435 179.64 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 57' ' ' ARG . . . . . . . . . . . . . 2.8 tpp180 -67.66 -45.03 76.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.905 -0.589 . . . . 29.03 110.318 179.404 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 58' ' ' LEU . . . . . 0.618 HD13 ' C ' ' C' ' 58' ' ' LEU . 2.4 tm? -58.18 -43.16 87.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.716 -0.675 . . . . 29.75 110.891 179.658 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.46 -35.48 79.46 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.222 -0.444 . . . . 25.28 111.225 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -61.56 -39.45 91.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.248 -0.433 . . . . 26.81 110.94 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -66.04 -53.86 33.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 26.81 110.948 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 62' ' ' GLN . . . . . 0.564 ' O ' HG23 ' C' ' 66' ' ' VAL . 79.7 mm-40 -51.73 -42.73 62.5 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.065 -0.516 . . . . 18.91 110.911 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 63' ' ' SER . . . . . . . . . . . . . 68.0 p -70.37 -33.18 71.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 16.2 110.781 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -63.26 -52.02 63.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.292 -0.413 . . . . 18.2 110.741 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 65' ' ' LEU . . . . . . . . . . . . . 8.6 mt -53.66 -46.21 70.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 18.11 110.631 179.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 66' ' ' VAL . . . . . 0.564 HG23 ' O ' ' C' ' 62' ' ' GLN . 48.4 t -59.83 -48.34 88.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.01 0.433 . . . . 10.14 110.692 179.486 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 67' ' ' LYS . . . . . 0.455 ' HG3' ' CB ' ' D' ' 63' ' ' SER . 23.7 tttt -56.92 -41.07 77.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.901 -0.59 . . . . 16.08 110.559 179.798 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.54 -42.76 98.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 22.58 110.485 179.612 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 69' ' ' MET . . . . . . . . . . . . . 53.9 ttp -60.81 -39.65 89.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.094 -0.503 . . . . 9.06 110.486 179.694 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 59.7 t -70.61 -45.17 75.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.095 -0.502 . . . . 7.02 110.761 179.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 71' ' ' PHE . . . . . 0.432 ' O ' ' CB ' ' C' ' 75' ' ' LYS . 46.4 t80 -51.64 -61.03 2.5 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.484 -0.326 . . . . 18.39 110.494 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -52.51 -40.64 62.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.293 -0.412 . . . . 12.57 110.324 179.677 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 73' ' ' THR . . . . . . . . . . . . . 17.7 m -65.62 -72.49 0.15 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 11.11 110.172 179.455 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 74' ' ' LEU . . . . . 0.763 HD12 ' HB2' ' D' ' 62' ' ' GLN . 13.7 mt -50.13 -35.4 25.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.064 -0.517 . . . . 18.42 110.889 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 75' ' ' LYS . . . . . 0.432 ' CB ' ' O ' ' C' ' 71' ' ' PHE . 13.4 ttpt -53.48 -67.93 0.22 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.121 -0.491 . . . . 19.9 110.122 179.406 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 76' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -63.24 -33.11 74.78 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.716 -0.674 . . . . 17.16 110.958 179.705 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 77' ' ' LEU . . . . . 0.637 HD12 ' C ' ' C' ' 77' ' ' LEU . 0.6 OUTLIER -63.5 -64.06 1.01 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.345 -0.389 . . . . 19.87 110.533 179.89 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' C' C ' 78' ' ' TYR . . . . . 0.45 ' HE1' HG13 ' B' ' 70' ' ' VAL . 16.8 m-30 -53.32 -27.03 21.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.88 0.371 . . . . 26.73 110.552 179.616 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 9.7 mttt -63.37 -36.26 83.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 28.0 110.442 179.648 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.97 -27.22 67.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.005 -0.543 . . . . 31.91 110.668 179.737 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 81' ' ' THR . . . . . 0.432 HG22 ' CE1' ' B' ' 78' ' ' TYR . 0.0 OUTLIER -76.2 -42.22 46.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 35.64 110.818 179.905 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' C' C ' 82' ' ' THR . . . . . . . . . . . . . 15.2 t . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.266 -0.873 . . . . 41.34 110.914 179.946 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' D' D ' 52' ' ' ARG . . . . . . . . . . . . . 8.5 mtt85 . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.655 0.264 . . . . 45.48 111.17 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' D' D ' 53' ' ' ASN . . . . . 0.73 ' OD1' ' HB3' ' D' ' 55' ' ' ALA . 7.2 p30 44.67 -171.96 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.118 -0.492 . . . . 40.03 111.333 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -81.52 -25.97 35.5 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.341 -0.39 . . . . 32.76 111.014 -179.735 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 55' ' ' ALA . . . . . 0.73 ' HB3' ' OD1' ' D' ' 53' ' ' ASN . . . -59.91 -51.64 68.84 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.355 -0.384 . . . . 31.65 110.931 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.16 -47.55 84.05 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.27 -0.423 . . . . 30.66 110.433 179.585 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 57' ' ' ARG . . . . . 0.407 ' O ' ' HB3' ' D' ' 60' ' ' ASP . 20.7 tpp180 -59.73 -39.96 86.48 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.131 -0.486 . . . . 23.03 110.195 179.447 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 58' ' ' LEU . . . . . 0.814 HD22 HG23 ' B' ' 73' ' ' THR . 3.2 mt -58.41 -61.71 2.38 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.772 -0.649 . . . . 18.48 110.38 179.484 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 59' ' ' ALA . . . . . . . . . . . . . . . -45.89 -29.38 1.37 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.662 -0.699 . . . . 18.46 111.217 179.722 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 60' ' ' ASP . . . . . 0.407 ' HB3' ' O ' ' D' ' 57' ' ' ARG . 24.8 t0 -62.03 -53.35 56.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.92 -0.582 . . . . 23.61 110.714 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 61' ' ' GLU . . . . . 0.408 ' HG3' ' N ' ' D' ' 62' ' ' GLN . 1.6 pt-20 -60.26 -28.81 68.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.277 -0.42 . . . . 16.5 110.712 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 62' ' ' GLN . . . . . 0.763 ' HB2' HD12 ' C' ' 74' ' ' LEU . 15.4 mm-40 -72.48 -48.36 41.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 14.59 110.817 179.749 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 63' ' ' SER . . . . . 0.455 ' CB ' ' HG3' ' C' ' 67' ' ' LYS . 0.8 OUTLIER -56.96 -56.07 26.42 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.203 -0.453 . . . . 12.82 110.769 -179.941 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' D' D ' 64' ' ' GLU . . . . . 0.429 ' HG3' ' N ' ' D' ' 65' ' ' LEU . 7.9 pt-20 -50.97 -35.27 32.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 7.71 110.786 179.732 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 65' ' ' LEU . . . . . 0.429 ' N ' ' HG3' ' D' ' 64' ' ' GLU . 0.1 OUTLIER -66.7 -38.32 86.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.067 -0.515 . . . . 5.6 110.855 179.921 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' D' D ' 66' ' ' VAL . . . . . 0.538 HG23 ' O ' ' D' ' 62' ' ' GLN . 23.5 t -68.94 -37.55 77.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.249 -0.432 . . . . 5.82 111.211 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 67' ' ' LYS . . . . . . . . . . . . . 10.7 tttt -59.23 -59.15 5.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 14.12 110.899 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 68' ' ' LYS . . . . . . . . . . . . . 45.7 tttt -54.62 -31.03 56.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.376 -0.375 . . . . 17.64 110.745 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 69' ' ' MET . . . . . . . . . . . . . 48.3 ttp -69.15 -51.28 39.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 12.97 110.747 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 70' ' ' VAL . . . . . 0.513 HG13 ' HE1' ' A' ' 78' ' ' TYR . 61.5 t -77.57 -19.86 14.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 15.35 111.131 179.74 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -64.6 -52.78 55.7 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.928 0.394 . . . . 24.65 110.615 179.671 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -65.3 -40.33 93.65 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.061 -0.518 . . . . 28.43 110.684 179.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 73' ' ' THR . . . . . 0.799 HG23 HD22 ' B' ' 58' ' ' LEU . 15.6 m -53.53 -60.32 3.46 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.159 -0.473 . . . . 22.72 110.717 179.811 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 74' ' ' LEU . . . . . 0.603 ' HA ' HD12 ' D' ' 77' ' ' LEU . 32.2 mt -50.52 -39.12 47.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.081 -0.509 . . . . 21.11 110.876 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.31 -47.17 55.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 26.22 110.755 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 76' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -73.34 -26.89 61.22 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.011 -0.541 . . . . 30.13 110.614 179.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 77' ' ' LEU . . . . . 0.603 HD12 ' HA ' ' D' ' 74' ' ' LEU . 20.6 mt -66.74 -42.41 86.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.073 -0.512 . . . . 30.44 110.753 179.834 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 78' ' ' TYR . . . . . 0.559 ' CE1' HD12 ' C' ' 58' ' ' LEU . 9.0 m-85 -82.62 -36.14 26.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.103 -0.498 . . . . 31.95 110.952 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 79' ' ' LYS . . . . . . . . . . . . . 3.7 tttp -59.51 -48.58 81.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 42.16 110.835 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 80' ' ' LYS . . . . . . . . . . . . . 74.1 tttt -55.11 -67.55 0.26 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.162 -0.472 . . . . 39.57 110.907 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 81' ' ' THR . . . . . 0.473 HG23 ' O ' ' D' ' 81' ' ' THR . 6.0 t -84.01 72.92 10.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 39.51 111.052 -179.841 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 82' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.21 -0.9 . . . . 45.53 110.833 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 12.2 ptt180 . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.826 0.346 . . . . 48.8 111.191 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -94.97 76.06 3.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.168 -0.469 . . . . 38.21 110.841 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.27 -28.01 61.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 39.87 110.853 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.471 ' HB1' ' HB3' ' B' ' 78' ' ' TYR . . . -57.87 -40.02 79.19 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.379 -0.373 . . . . 31.84 110.894 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -67.49 -56.99 7.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.284 -0.416 . . . . 27.34 110.545 179.776 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 4.6 mtt-85 -58.68 -45.21 89.94 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.954 -0.566 . . . . 28.83 110.362 179.623 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.41 ' HA ' HD23 ' A' ' 58' ' ' LEU . 13.1 mt -54.45 -52.84 60.54 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.827 -0.624 . . . . 31.14 110.465 179.698 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.5 -36.72 45.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.495 . . . . 24.63 110.701 179.722 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -73.2 -30.97 63.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.994 -0.548 . . . . 25.28 110.546 179.644 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -74.35 -45.41 47.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.052 -0.522 . . . . 26.13 110.627 179.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 58.3 mm-40 -57.3 -47.81 80.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.01 -0.541 . . . . 18.33 110.619 179.663 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 12.1 p -58.89 -40.01 83.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.053 -0.522 . . . . 16.1 110.644 179.788 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.414 ' O ' ' HG2' ' A' ' 67' ' ' LYS . 0.0 OUTLIER -58.42 -27.93 64.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.481 . . . . 17.46 110.568 179.775 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 71.0 mt -77.87 -34.53 51.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.148 -0.478 . . . . 18.7 110.061 179.437 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 87.1 t -76.57 -43.78 34.76 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 CA-C-N 115.899 -0.591 . . . . 10.08 110.627 179.366 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.414 ' HG2' ' O ' ' A' ' 64' ' ' GLU . 20.2 ptmt -59.41 -42.81 92.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.073 -0.512 . . . . 13.97 110.541 179.777 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -63.27 -38.68 92.09 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.122 -0.49 . . . . 21.56 110.218 179.568 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.656 ' HE2' HG21 ' C' ' 73' ' ' THR . 57.6 ttp -64.54 -43.2 94.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.961 -0.563 . . . . 9.17 110.423 179.667 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 62.1 t -70.17 -41.97 79.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.1 -0.5 . . . . 7.61 110.641 179.632 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.413 ' O ' ' HB2' ' A' ' 75' ' ' LYS . 14.3 t80 -52.58 -63.98 0.97 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.368 -0.378 . . . . 19.4 110.43 179.743 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -51.05 -42.68 60.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.336 -0.393 . . . . 12.71 110.564 179.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.669 HG21 ' HE2' ' C' ' 69' ' ' MET . 18.6 m -64.16 -71.06 0.19 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.384 -0.371 . . . . 10.26 110.267 179.603 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.696 HD12 ' HB2' ' B' ' 62' ' ' GLN . 19.1 mt -50.82 -33.93 25.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.081 -0.508 . . . . 17.84 110.882 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.413 ' HB2' ' O ' ' A' ' 71' ' ' PHE . 3.7 ttpt -56.83 -65.53 0.6 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.037 -0.529 . . . . 19.98 110.185 179.441 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.61 -31.24 71.8 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.596 -0.729 . . . . 17.51 110.964 179.782 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.708 ' O ' HD12 ' A' ' 77' ' ' LEU . 0.8 OUTLIER -61.96 -53.92 48.93 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.363 -0.381 . . . . 19.81 110.752 -179.871 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.504 ' OH ' HG13 ' D' ' 70' ' ' VAL . 22.9 m-85 -65.46 -22.21 66.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.375 -0.375 . . . . 26.83 110.828 179.752 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 3.3 mttt -74.17 -32.74 63.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.278 -0.419 . . . . 27.31 110.573 179.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.04 -29.65 68.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 31.07 110.957 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -67.54 -73.41 0.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 34.16 111.004 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 4.7 t . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.313 -0.851 . . . . 41.07 110.894 179.948 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.828 0.347 . . . . 43.46 111.202 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -113.46 28.4 8.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.129 -0.487 . . . . 38.55 110.759 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -70.93 -24.67 62.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.095 -0.502 . . . . 32.39 110.962 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 55' ' ' ALA . . . . . 0.488 ' HB1' ' HB2' ' A' ' 78' ' ' TYR . . . -57.23 -45.94 83.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.301 -0.409 . . . . 30.67 111.114 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -61.01 -44.01 98.05 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.242 -0.436 . . . . 30.91 110.767 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 2.3 mtt-85 -62.8 -33.08 74.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 22.32 110.793 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . 0.675 HD22 HG23 ' D' ' 73' ' ' THR . 26.4 mt -71.51 -61.02 1.93 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 18.22 110.68 179.731 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -47.06 -30.31 2.64 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.873 -0.603 . . . . 18.79 111.2 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -69.02 -58.58 3.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.066 -0.516 . . . . 24.76 110.806 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . 0.439 ' HA ' ' CG ' ' B' ' 64' ' ' GLU . 2.1 mm-40 -58.26 -29.98 66.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 16.73 110.691 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . 0.696 ' HB2' HD12 ' A' ' 74' ' ' LEU . 2.1 mm-40 -71.93 -38.63 69.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.96 -0.564 . . . . 14.28 110.773 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -69.76 -57.26 5.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.118 -0.492 . . . . 12.85 110.793 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . 0.439 ' CG ' ' HA ' ' B' ' 61' ' ' GLU . 0.0 OUTLIER -50.84 -30.27 13.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.332 -0.395 . . . . 7.95 110.564 179.717 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.21 -49.91 57.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.949 -0.568 . . . . 6.34 110.526 179.638 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . 0.588 HG23 ' O ' ' B' ' 62' ' ' GLN . 38.2 t -57.54 -31.86 40.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 5.16 110.918 179.682 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . 0.417 ' O ' ' N ' ' B' ' 71' ' ' PHE . 0.1 OUTLIER -60.87 -53.32 58.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.002 -0.544 . . . . 10.01 111.158 -179.876 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 22.1 tttt -58.96 -34.28 71.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.395 -0.366 . . . . 17.83 111.086 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 69' ' ' MET . . . . . . . . . . . . . 35.2 ttp -73.36 -45.2 56.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 13.25 111.103 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.617 HG13 ' OH ' ' C' ' 78' ' ' TYR . 95.0 t -79.72 -21.54 12.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.304 -0.407 . . . . 15.3 111.227 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.417 ' N ' ' O ' ' B' ' 67' ' ' LYS . 60.7 t80 -68.94 -39.7 79.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.369 -0.378 . . . . 24.13 110.632 179.774 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -70.84 -50.01 40.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 28.4 110.564 179.746 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 73' ' ' THR . . . . . 0.692 HG23 HD22 ' D' ' 58' ' ' LEU . 98.3 m -52.84 -43.27 65.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.052 -0.522 . . . . 23.43 110.736 179.741 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 71.6 mt -63.89 -36.62 84.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.084 -0.507 . . . . 21.51 110.689 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -51.83 -44.41 63.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 25.84 110.685 179.842 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 74.7 m-20 -75.71 -36.39 60.01 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.989 -0.551 . . . . 30.85 110.647 179.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.432 ' CD1' ' CD1' ' C' ' 78' ' ' TYR . 17.4 mt -57.77 -42.05 83.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.007 -0.542 . . . . 29.98 110.636 179.717 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 78' ' ' TYR . . . . . 0.471 ' HB3' ' HB1' ' A' ' 55' ' ' ALA . 4.4 m-85 -82.24 -33.09 29.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.025 -0.534 . . . . 31.34 110.893 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 6.0 ttmt -53.53 -38.56 63.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 41.75 110.811 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 8.6 mttt -70.98 -22.49 62.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 38.78 110.94 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . 0.526 HG23 ' O ' ' B' ' 81' ' ' THR . 10.2 t -139.04 67.98 1.39 Allowed 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 116.308 -0.405 . . . . 38.38 110.834 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.252 -0.88 . . . . 44.62 110.876 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 52' ' ' ARG . . . . . . . . . . . . . 12.2 ptt180 . . . . . 0 N--CA 1.486 1.33 0 CA-C-O 120.775 0.321 . . . . 47.62 111.278 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 53' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -95.1 76.2 3.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 41.96 110.851 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 54' ' ' ASP . . . . . 0.404 ' O ' ' HG ' ' C' ' 58' ' ' LEU . 0.5 OUTLIER -74.37 -27.89 60.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.479 . . . . 38.47 110.894 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' C' C ' 55' ' ' ALA . . . . . 0.634 ' HB1' ' HB3' ' D' ' 78' ' ' TYR . . . -57.97 -39.99 79.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.288 -0.415 . . . . 34.88 110.935 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -67.5 -56.97 7.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.451 . . . . 30.37 110.593 179.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 57' ' ' ARG . . . . . . . . . . . . . 4.7 mtt-85 -58.7 -45.16 90.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.903 -0.59 . . . . 34.81 110.402 179.62 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 58' ' ' LEU . . . . . 0.404 ' HG ' ' O ' ' C' ' 54' ' ' ASP . 13.2 mt -54.32 -53.02 59.53 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.869 -0.605 . . . . 25.3 110.486 179.644 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.34 -36.83 44.73 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.017 -0.538 . . . . 20.86 110.668 179.675 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -73.15 -31.07 64.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.042 -0.527 . . . . 22.06 110.562 179.701 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -74.18 -45.56 47.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.047 -0.524 . . . . 23.54 110.67 179.718 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 62' ' ' GLN . . . . . 0.403 ' HB2' HD13 ' D' ' 74' ' ' LEU . 58.5 mm-40 -57.22 -47.88 80.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.932 -0.576 . . . . 25.05 110.516 179.733 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 63' ' ' SER . . . . . . . . . . . . . 12.1 p -58.69 -40.15 82.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.079 -0.51 . . . . 16.88 110.612 179.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 64' ' ' GLU . . . . . 0.412 ' O ' ' HG2' ' C' ' 67' ' ' LYS . 0.0 OUTLIER -58.35 -28.03 64.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.469 . . . . 24.95 110.597 179.836 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' C' C ' 65' ' ' LEU . . . . . . . . . . . . . 72.4 mt -77.75 -34.64 52.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.09 -0.504 . . . . 16.53 110.083 179.48 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 66' ' ' VAL . . . . . . . . . . . . . 91.0 t -76.55 -43.91 34.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.846 -0.616 . . . . 14.42 110.633 179.438 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 67' ' ' LYS . . . . . 0.412 ' HG2' ' O ' ' C' ' 64' ' ' GLU . 20.2 ptmt -59.25 -42.98 92.39 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.975 -0.557 . . . . 14.83 110.527 179.694 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 68' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -63.09 -38.58 91.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 13.62 110.285 179.54 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 69' ' ' MET . . . . . 0.669 ' HE2' HG21 ' A' ' 73' ' ' THR . 57.7 ttp -64.64 -43.28 94.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.003 -0.544 . . . . 7.17 110.446 179.649 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 59.7 t -70.19 -42.08 78.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.016 -0.538 . . . . 8.67 110.578 179.678 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 71' ' ' PHE . . . . . 0.407 ' O ' ' HB2' ' C' ' 75' ' ' LYS . 14.3 t80 -52.28 -64.1 0.92 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.422 -0.354 . . . . 8.83 110.388 179.679 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -51.12 -42.31 60.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.325 -0.398 . . . . 11.12 110.633 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 73' ' ' THR . . . . . 0.656 HG21 ' HE2' ' A' ' 69' ' ' MET . 18.6 m -64.38 -70.93 0.2 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.327 -0.397 . . . . 13.13 110.279 179.579 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 74' ' ' LEU . . . . . 0.711 HD12 ' HB2' ' D' ' 62' ' ' GLN . 20.0 mt -50.77 -34.27 26.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.085 -0.507 . . . . 14.81 110.932 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 75' ' ' LYS . . . . . 0.407 ' HB2' ' O ' ' C' ' 71' ' ' PHE . 3.7 ttpt -56.64 -65.55 0.59 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.977 -0.556 . . . . 13.19 110.227 179.499 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 76' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.64 -31.26 71.83 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.675 -0.693 . . . . 16.36 110.966 179.709 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 77' ' ' LEU . . . . . 0.725 ' O ' HD12 ' C' ' 77' ' ' LEU . 0.7 OUTLIER -61.92 -53.97 48.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.404 -0.362 . . . . 21.18 110.718 -179.884 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' C' C ' 78' ' ' TYR . . . . . 0.617 ' OH ' HG13 ' B' ' 70' ' ' VAL . 22.7 m-85 -65.35 -22.37 66.8 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.418 -0.355 . . . . 23.76 110.865 179.7 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 3.4 mttt -74.16 -32.43 63.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.309 -0.405 . . . . 28.76 110.648 179.719 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.22 -29.57 68.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 26.87 110.995 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 81' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -67.6 -73.47 0.14 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.128 -0.487 . . . . 33.19 110.951 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 82' ' ' THR . . . . . . . . . . . . . 4.7 t . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.353 -0.832 . . . . 36.41 110.947 -179.983 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' D' D ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.888 0.375 . . . . 45.48 111.213 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -113.31 28.42 8.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 40.39 110.747 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -71.0 -24.49 62.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.119 -0.492 . . . . 34.86 110.958 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 55' ' ' ALA . . . . . 0.52 ' HB1' ' HB2' ' C' ' 78' ' ' TYR . . . -57.4 -46.03 83.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.292 -0.413 . . . . 31.49 111.02 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -60.89 -43.86 97.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 32.02 110.815 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 57' ' ' ARG . . . . . . . . . . . . . 2.4 mtt-85 -63.01 -32.77 74.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 32.45 110.738 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 58' ' ' LEU . . . . . 0.692 HD22 HG23 ' B' ' 73' ' ' THR . 26.6 mt -71.82 -60.8 2.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 22.4 110.691 179.801 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 59' ' ' ALA . . . . . . . . . . . . . . . -47.22 -30.03 2.74 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.937 -0.574 . . . . 18.93 111.18 179.732 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 60' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.29 -58.44 4.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.053 -0.521 . . . . 19.41 110.802 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 61' ' ' GLU . . . . . 0.447 ' HA ' ' CG ' ' D' ' 64' ' ' GLU . 2.1 mm-40 -58.53 -29.73 66.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.286 -0.415 . . . . 11.99 110.755 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 62' ' ' GLN . . . . . 0.711 ' HB2' HD12 ' C' ' 74' ' ' LEU . 2.0 mm-40 -72.03 -38.77 69.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.994 -0.548 . . . . 11.65 110.787 179.815 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 63' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -69.59 -57.27 5.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.075 -0.511 . . . . 16.9 110.918 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 64' ' ' GLU . . . . . 0.447 ' CG ' ' HA ' ' D' ' 61' ' ' GLU . 0.0 OUTLIER -50.83 -30.38 14.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.99 0.424 . . . . 18.83 110.608 179.702 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' D' D ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.08 -49.93 58.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.919 -0.582 . . . . 9.48 110.593 179.622 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 66' ' ' VAL . . . . . 0.605 HG23 ' O ' ' D' ' 62' ' ' GLN . 38.3 t -57.6 -31.85 40.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.069 -0.514 . . . . 8.93 110.929 179.699 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.82 -53.32 58.73 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.933 -0.576 . . . . 17.82 111.21 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 68' ' ' LYS . . . . . . . . . . . . . 21.9 tttt -59.06 -34.1 71.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.321 -0.399 . . . . 11.19 111.093 -179.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 69' ' ' MET . . . . . . . . . . . . . 35.0 ttp -73.48 -45.25 55.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 11.3 111.133 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 70' ' ' VAL . . . . . 0.504 HG13 ' OH ' ' A' ' 78' ' ' TYR . 99.9 t -79.68 -21.6 12.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 11.66 111.191 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -68.75 -39.73 80.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.957 0.408 . . . . 18.66 110.707 179.686 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -70.77 -50.14 39.12 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.049 -0.523 . . . . 23.91 110.521 179.639 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 73' ' ' THR . . . . . 0.675 HG23 HD22 ' B' ' 58' ' ' LEU . 98.3 m -52.61 -43.36 65.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.077 -0.51 . . . . 22.21 110.659 179.792 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 74' ' ' LEU . . . . . 0.403 HD13 ' HB2' ' C' ' 62' ' ' GLN . 71.3 mt -63.93 -36.67 84.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 26.92 110.821 179.819 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 75' ' ' LYS . . . . . . . . . . . . . 1.1 ttpt -51.95 -43.94 63.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 29.87 110.764 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 76' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -76.18 -36.18 58.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.049 -0.523 . . . . 29.48 110.51 179.748 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 77' ' ' LEU . . . . . 0.407 ' CD1' ' CD1' ' A' ' 78' ' ' TYR . 17.2 mt -57.97 -41.87 83.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.961 -0.563 . . . . 28.43 110.66 179.734 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 78' ' ' TYR . . . . . 0.634 ' HB3' ' HB1' ' C' ' 55' ' ' ALA . 4.6 m-85 -82.44 -33.02 28.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.005 -0.543 . . . . 34.41 110.815 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 79' ' ' LYS . . . . . . . . . . . . . 6.0 ttmt -53.54 -38.61 63.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 40.68 110.871 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 80' ' ' LYS . . . . . . . . . . . . . 8.6 mttt -70.93 -22.47 62.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 42.62 110.984 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 81' ' ' THR . . . . . 0.515 HG23 ' O ' ' D' ' 81' ' ' THR . 10.2 t -139.03 67.78 1.39 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.377 -0.374 . . . . 39.87 110.955 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 82' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.242 -0.885 . . . . 47.56 110.856 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 18.8 tpt180 . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.908 0.385 . . . . 48.33 111.247 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -62.64 89.11 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 36.45 110.811 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 52.9 m-20 -51.91 -29.74 21.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 38.74 110.833 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.27 -43.44 98.88 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.869 0.366 . . . . 30.71 110.718 179.732 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -65.55 -51.03 62.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 27.77 110.496 179.668 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 47.1 mtp180 -62.37 -44.88 95.44 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.953 -0.567 . . . . 26.98 110.384 179.459 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.467 HD23 ' HA ' ' A' ' 58' ' ' LEU . 13.7 mt -56.23 -49.9 72.8 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.729 -0.668 . . . . 28.17 110.771 179.72 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.41 -37.76 50.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.078 -0.51 . . . . 24.53 110.905 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.45 -34.72 65.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.107 -0.497 . . . . 26.06 110.775 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -69.78 -47.41 63.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 27.62 110.742 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.492 ' HA ' HD12 ' A' ' 65' ' ' LEU . 47.1 mm-40 -59.95 -40.98 90.83 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.059 -0.519 . . . . 19.67 110.685 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 59.0 m -67.29 -31.86 72.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 16.04 110.814 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -60.12 -49.72 76.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 18.02 110.598 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.492 HD12 ' HA ' ' A' ' 62' ' ' GLN . 3.6 mt -56.17 -44.69 79.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.052 -0.522 . . . . 16.65 110.724 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.425 ' O ' ' HG2' ' A' ' 69' ' ' MET . 72.2 t -68.31 -46.45 80.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.197 -0.456 . . . . 10.01 110.865 179.797 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.26 -25.04 67.49 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.203 -0.453 . . . . 18.43 110.471 179.55 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 13.8 ttpt -79.05 -42.78 25.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.078 -0.51 . . . . 21.01 110.731 179.64 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.456 ' HE2' HG21 ' C' ' 73' ' ' THR . 8.0 ptt? -66.72 -27.16 67.4 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.279 -0.419 . . . . 8.62 110.718 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.404 HG23 ' O ' ' A' ' 66' ' ' VAL . 62.5 t -78.15 -44.03 27.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.233 -0.44 . . . . 5.34 110.539 179.64 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.415 ' O ' ' CB ' ' A' ' 75' ' ' LYS . 35.8 t80 -49.94 -58.33 5.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.327 -0.397 . . . . 15.42 110.533 179.776 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -54.92 -45.55 74.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 9.39 110.349 179.46 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.462 HG21 ' HE1' ' C' ' 69' ' ' MET . 19.0 m -60.99 -68.97 0.26 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.965 -0.561 . . . . 12.65 110.373 179.677 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.465 ' CD1' ' HB3' ' B' ' 62' ' ' GLN . 14.2 mt -52.34 -38.81 59.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 18.83 111.016 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.415 ' CB ' ' O ' ' A' ' 71' ' ' PHE . 14.0 tttt -54.63 -68.59 0.17 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.127 0.489 . . . . 21.72 110.176 179.474 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -62.46 -29.44 70.53 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.66 -0.7 . . . . 15.46 110.938 179.695 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.621 ' C ' HD12 ' A' ' 77' ' ' LEU . 0.7 OUTLIER -65.15 -60.97 2.44 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.29 -0.414 . . . . 19.21 110.665 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.513 ' CZ ' HG21 ' D' ' 73' ' ' THR . 20.8 m-85 -56.54 -26.42 54.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.352 -0.385 . . . . 25.79 110.486 179.716 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.89 -28.22 68.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.49 . . . . 27.07 110.719 179.799 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.64 -42.43 98.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 30.05 110.835 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 71.4 p -63.63 -76.89 0.06 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.102 -0.499 . . . . 34.01 110.796 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.2 t . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.234 -0.889 . . . . 39.32 110.854 -179.963 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 15.6 mtp180 . . . . . 0 N--CA 1.487 1.42 0 CA-C-O 120.815 0.341 . . . . 45.87 111.112 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 53' ' ' ASN . . . . . 0.416 ' ND2' ' N ' ' B' ' 53' ' ' ASN . 0.1 OUTLIER -174.72 -177.3 1.13 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.102 -0.499 . . . . 40.33 110.78 -179.906 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -55.05 -36.09 65.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.262 -0.426 . . . . 33.31 111.011 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -52.05 -41.42 62.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.257 -0.428 . . . . 33.0 110.878 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -70.16 -50.54 39.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.128 -0.487 . . . . 30.21 110.765 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 6.2 mtt180 -58.96 -38.73 79.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 26.78 110.644 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . 0.863 HD22 HG23 ' D' ' 73' ' ' THR . 60.0 mt -63.7 -60.48 3.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.064 -0.516 . . . . 18.14 110.67 179.723 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 59' ' ' ALA . . . . . 0.424 ' O ' ' CB ' ' B' ' 63' ' ' SER . . . -47.95 -28.18 2.58 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.847 -0.615 . . . . 18.42 111.135 179.815 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 62.3 t0 -73.67 -62.29 1.54 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 22.15 110.874 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . 0.722 ' OE2' HD23 ' B' ' 58' ' ' LEU . 10.4 pt-20 -57.4 -41.44 80.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.435 -0.348 . . . . 16.16 110.55 179.709 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . 0.603 ' O ' HG23 ' B' ' 66' ' ' VAL . 0.0 OUTLIER -67.47 -39.85 85.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 15.09 110.974 179.695 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 63' ' ' SER . . . . . 0.424 ' CB ' ' O ' ' B' ' 59' ' ' ALA . 78.9 p -70.78 -56.71 5.75 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.393 -0.367 . . . . 12.67 110.7 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 23.1 pt-20 -50.91 -35.59 33.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.434 . . . . 10.37 110.735 179.758 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 3.8 tt -61.68 -43.46 98.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.195 -0.457 . . . . 5.63 110.648 179.747 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . 0.603 HG23 ' O ' ' B' ' 62' ' ' GLN . 11.1 t -57.61 -42.48 81.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 6.68 110.985 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 8.2 tttp -54.7 -57.8 10.04 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.077 -0.511 . . . . 17.36 110.866 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 1.5 mptt -52.79 -38.13 60.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 18.57 110.762 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 69' ' ' MET . . . . . . . . . . . . . 16.7 ttp -67.04 -49.9 63.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 13.1 110.952 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 75.2 t -72.69 -24.83 21.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.01 -0.541 . . . . 15.51 111.37 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -59.9 -49.44 77.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.867 0.365 . . . . 25.13 110.644 179.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -64.33 -45.29 88.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 28.71 110.58 179.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 73' ' ' THR . . . . . 0.842 HG23 HD22 ' D' ' 58' ' ' LEU . 51.6 m -52.18 -50.48 61.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.097 -0.501 . . . . 21.12 110.795 179.756 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 74' ' ' LEU . . . . . 0.448 ' HA ' HD12 ' B' ' 77' ' ' LEU . 36.0 mt -62.06 -41.22 97.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.114 -0.494 . . . . 21.31 110.834 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -50.19 -39.02 42.73 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.288 -0.414 . . . . 27.94 110.624 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -80.93 -34.99 32.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.953 -0.567 . . . . 30.71 110.563 179.651 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.489 HD11 ' CD1' ' C' ' 78' ' ' TYR . 19.0 mt -58.77 -42.54 89.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.029 -0.532 . . . . 30.43 110.847 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -79.06 -46.93 17.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.497 . . . . 32.55 110.846 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 12.3 ttpt -53.49 -27.29 24.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.992 -0.549 . . . . 40.42 111.093 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 10.5 mttm -77.4 -17.36 58.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 40.67 111.301 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . 0.461 HG23 ' O ' ' B' ' 81' ' ' THR . 4.0 t -152.27 92.59 1.71 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.826 0.346 . . . . 39.82 111.057 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 26.5 p . . . . . 0 C--O 1.248 1.005 0 CA-C-O 118.243 -0.884 . . . . 46.33 110.883 179.891 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 52' ' ' ARG . . . . . . . . . . . . . 19.0 tpt180 . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.911 0.386 . . . . 45.88 111.217 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 53' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -62.55 88.99 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 41.79 110.887 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 53.5 m-20 -51.81 -29.76 20.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 41.22 110.868 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.35 -43.26 99.18 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.421 -0.354 . . . . 35.81 110.808 179.759 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -65.61 -51.22 61.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.127 -0.488 . . . . 30.95 110.462 179.58 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 57' ' ' ARG . . . . . . . . . . . . . 46.8 mtp180 -62.23 -44.92 95.46 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.881 -0.6 . . . . 38.83 110.396 179.484 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 58' ' ' LEU . . . . . 0.449 HD23 ' HA ' ' C' ' 58' ' ' LEU . 13.8 mt -56.19 -50.09 72.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.748 -0.66 . . . . 28.44 110.705 179.727 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.16 -37.74 48.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.089 -0.505 . . . . 20.91 110.94 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.49 -34.68 65.42 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.138 -0.483 . . . . 18.98 110.795 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -69.9 -47.3 63.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.476 . . . . 21.22 110.811 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 62' ' ' GLN . . . . . 0.485 ' HA ' HD12 ' C' ' 65' ' ' LEU . 46.4 mm-40 -60.0 -41.02 91.2 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.018 -0.537 . . . . 24.08 110.734 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 63' ' ' SER . . . . . . . . . . . . . 59.9 m -67.13 -32.1 73.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 17.24 110.902 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -60.03 -49.64 76.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.216 -0.447 . . . . 26.84 110.624 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 65' ' ' LEU . . . . . 0.485 HD12 ' HA ' ' C' ' 62' ' ' GLN . 3.6 mt -56.05 -44.86 79.25 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.053 -0.522 . . . . 19.05 110.754 179.834 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 66' ' ' VAL . . . . . 0.431 ' O ' ' HG2' ' C' ' 69' ' ' MET . 67.6 t -68.24 -46.49 80.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.211 -0.449 . . . . 15.25 110.85 179.779 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 67' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.03 -25.19 67.73 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.239 -0.437 . . . . 9.09 110.476 179.5 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 68' ' ' LYS . . . . . . . . . . . . . 13.8 ttpt -79.14 -42.58 25.87 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.074 -0.512 . . . . 13.79 110.775 179.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 69' ' ' MET . . . . . 0.462 ' HE1' HG21 ' A' ' 73' ' ' THR . 7.9 ptt? -66.85 -27.0 67.18 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.318 -0.401 . . . . 8.73 110.748 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 70' ' ' VAL . . . . . 0.407 HG23 ' O ' ' C' ' 66' ' ' VAL . 62.7 t -78.25 -43.81 27.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.179 -0.464 . . . . 9.14 110.604 179.604 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 71' ' ' PHE . . . . . 0.42 ' O ' ' CB ' ' C' ' 75' ' ' LYS . 35.7 t80 -50.08 -58.51 5.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.289 -0.414 . . . . 14.75 110.487 179.705 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -54.85 -45.61 74.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 12.55 110.272 179.541 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 73' ' ' THR . . . . . 0.456 HG21 ' HE2' ' A' ' 69' ' ' MET . 19.2 m -61.03 -68.96 0.26 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.028 -0.533 . . . . 10.63 110.456 179.649 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 74' ' ' LEU . . . . . 0.454 ' CD1' ' HB3' ' D' ' 62' ' ' GLN . 14.3 mt -52.3 -38.9 59.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 13.17 111.076 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 75' ' ' LYS . . . . . 0.42 ' CB ' ' O ' ' C' ' 71' ' ' PHE . 14.0 tttt -54.48 -68.61 0.17 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.2 -0.455 . . . . 14.65 110.201 179.412 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 76' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -62.56 -29.41 70.56 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.618 -0.719 . . . . 17.87 110.906 179.735 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 77' ' ' LEU . . . . . 0.612 HD12 ' C ' ' C' ' 77' ' ' LEU . 0.7 OUTLIER -65.01 -61.04 2.39 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.426 -0.352 . . . . 21.27 110.612 179.921 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' C' C ' 78' ' ' TYR . . . . . 0.53 ' CZ ' HG21 ' B' ' 73' ' ' THR . 20.9 m-85 -56.49 -26.47 54.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.954 0.406 . . . . 26.14 110.578 179.678 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.85 -28.5 68.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.075 -0.511 . . . . 24.65 110.692 179.742 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.25 -42.51 98.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.172 -0.467 . . . . 29.22 110.915 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 81' ' ' THR . . . . . . . . . . . . . 71.4 p -63.69 -76.62 0.06 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.126 -0.488 . . . . 33.51 110.833 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 82' ' ' THR . . . . . . . . . . . . . 1.2 t . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.238 -0.887 . . . . 37.43 110.864 -179.993 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' D' D ' 52' ' ' ARG . . . . . . . . . . . . . 15.8 mtp180 . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.866 0.365 . . . . 47.24 111.147 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' D' D ' 53' ' ' ASN . . . . . 0.415 ' N ' ' ND2' ' D' ' 53' ' ' ASN . 0.1 OUTLIER -174.71 -177.32 1.14 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.133 -0.485 . . . . 38.56 110.825 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -54.99 -36.17 65.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 32.86 111.058 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 55' ' ' ALA . . . . . . . . . . . . . . . -51.98 -41.44 62.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 29.49 110.894 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -70.0 -50.75 38.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.056 -0.52 . . . . 33.11 110.755 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 57' ' ' ARG . . . . . . . . . . . . . 6.1 mtt180 -58.76 -38.77 79.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 26.78 110.697 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 58' ' ' LEU . . . . . 0.842 HD22 HG23 ' B' ' 73' ' ' THR . 60.7 mt -63.75 -60.25 3.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.069 -0.514 . . . . 22.18 110.719 179.737 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 59' ' ' ALA . . . . . 0.421 ' O ' ' CB ' ' D' ' 63' ' ' SER . . . -48.14 -28.1 2.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.742 -0.663 . . . . 20.04 111.174 179.83 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 60' ' ' ASP . . . . . . . . . . . . . 62.5 t0 -73.84 -62.02 1.64 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.103 -0.499 . . . . 18.39 110.817 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 61' ' ' GLU . . . . . 0.718 ' OE2' HD23 ' D' ' 58' ' ' LEU . 10.4 pt-20 -57.56 -41.37 80.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.44 -0.346 . . . . 11.78 110.536 179.742 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 62' ' ' GLN . . . . . 0.598 ' O ' HG23 ' D' ' 66' ' ' VAL . 0.0 OUTLIER -67.44 -39.74 85.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 10.67 110.966 179.785 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' D' D ' 63' ' ' SER . . . . . 0.421 ' CB ' ' O ' ' D' ' 59' ' ' ALA . 78.8 p -70.86 -56.81 5.47 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.327 -0.397 . . . . 16.51 110.755 179.816 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 64' ' ' GLU . . . . . . . . . . . . . 23.0 pt-20 -50.95 -35.49 33.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 17.09 110.738 179.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 65' ' ' LEU . . . . . 0.411 ' HB2' ' O ' ' D' ' 61' ' ' GLU . 3.7 tt -61.76 -43.5 98.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.13 -0.486 . . . . 9.64 110.682 179.669 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 66' ' ' VAL . . . . . 0.598 HG23 ' O ' ' D' ' 62' ' ' GLN . 11.0 t -57.71 -42.3 81.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.249 -0.432 . . . . 8.1 111.034 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 67' ' ' LYS . . . . . . . . . . . . . 8.2 tttp -54.71 -57.89 9.72 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.062 -0.517 . . . . 12.67 110.78 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 68' ' ' LYS . . . . . . . . . . . . . 1.5 mptt -52.61 -38.14 59.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 8.66 110.784 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 69' ' ' MET . . . . . . . . . . . . . 16.7 ttp -67.03 -49.98 63.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 11.26 110.868 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 70' ' ' VAL . . . . . . . . . . . . . 77.4 t -72.65 -24.91 21.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.02 -0.537 . . . . 10.79 111.355 -179.606 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -59.81 -49.45 77.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.782 0.325 . . . . 17.82 110.698 179.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -64.29 -45.64 87.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 24.57 110.559 179.72 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 73' ' ' THR . . . . . 0.863 HG23 HD22 ' B' ' 58' ' ' LEU . 52.5 m -51.77 -50.66 60.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 24.08 110.791 179.73 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 74' ' ' LEU . . . . . 0.482 HD13 ' HB2' ' C' ' 62' ' ' GLN . 35.9 mt -61.89 -41.43 97.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 27.09 110.859 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 75' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -49.91 -39.07 38.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.937 0.399 . . . . 28.03 110.65 179.835 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 76' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -81.08 -34.71 32.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.94 -0.573 . . . . 28.03 110.615 179.712 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 77' ' ' LEU . . . . . 0.495 HD11 ' CD1' ' A' ' 78' ' ' TYR . 19.0 mt -59.0 -42.6 90.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.036 -0.529 . . . . 28.29 110.705 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 78' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -78.97 -47.13 16.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 33.65 110.81 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 79' ' ' LYS . . . . . . . . . . . . . 12.4 ttpt -53.33 -27.29 22.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.076 -0.511 . . . . 43.79 111.1 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 80' ' ' LYS . . . . . . . . . . . . . 10.6 mttm -77.27 -17.6 58.25 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.272 -0.422 . . . . 41.14 111.362 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 81' ' ' THR . . . . . 0.455 HG23 ' O ' ' D' ' 81' ' ' THR . 4.0 t -152.15 92.74 1.74 Allowed 'General case' 0 N--CA 1.455 -0.209 0 CA-C-O 120.781 0.324 . . . . 39.69 110.964 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 82' ' ' THR . . . . . . . . . . . . . 26.7 p . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.174 -0.917 . . . . 47.42 110.839 179.908 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.778 0.323 . . . . 47.72 111.207 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -136.52 82.41 1.94 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 36.36 111.056 -179.901 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -61.15 -35.75 77.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.266 -0.425 . . . . 36.58 110.738 179.804 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.571 ' HB1' ' HB3' ' B' ' 78' ' ' TYR . . . -63.0 -44.38 96.18 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.183 -0.462 . . . . 30.5 110.637 179.694 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.6 -49.24 69.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 26.82 110.31 179.523 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 1.4 tmm_? -62.67 -45.13 94.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.95 -0.568 . . . . 27.69 110.088 179.339 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.445 ' HA ' HD23 ' A' ' 58' ' ' LEU . 14.9 mt -57.15 -47.23 81.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.686 -0.688 . . . . 26.01 110.574 179.494 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -52.84 -33.79 51.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.047 -0.524 . . . . 23.73 110.811 179.839 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -79.48 -27.04 41.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 26.22 110.696 179.868 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -70.72 -52.86 18.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.434 . . . . 28.31 110.72 179.874 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.811 ' HA ' HD12 ' A' ' 65' ' ' LEU . 0.4 OUTLIER -61.69 -39.58 91.97 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.962 -0.563 . . . . 20.5 110.363 179.681 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 66.5 m -62.71 -32.79 73.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.0 -0.545 . . . . 16.03 110.603 179.769 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -64.08 -43.07 96.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.102 -0.499 . . . . 18.62 110.61 179.71 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.811 HD12 ' HA ' ' A' ' 62' ' ' GLN . 3.6 mt -59.9 -33.1 71.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 15.3 110.505 179.68 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 49.0 t -74.4 -46.8 42.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.981 -0.554 . . . . 10.45 110.944 179.805 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 10.5 tttm -61.39 -45.1 95.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 19.67 110.628 179.803 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.1 mtmm -62.57 -33.87 75.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.145 -0.48 . . . . 20.13 110.605 179.842 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 36.4 ttp -71.22 -38.6 71.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.109 -0.496 . . . . 7.74 110.67 179.853 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 55.4 t -71.89 -41.5 69.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.487 . . . . 3.98 110.851 179.779 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.433 ' O ' ' CB ' ' A' ' 75' ' ' LYS . 33.2 t80 -53.55 -60.69 2.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.47 -0.332 . . . . 11.85 110.536 179.895 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.49 -42.79 61.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.43 -0.35 . . . . 7.71 110.577 179.812 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 17.8 m -65.64 -71.94 0.17 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.222 -0.445 . . . . 13.75 110.322 179.651 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.726 HD12 ' HB2' ' B' ' 62' ' ' GLN . 15.1 mt -49.94 -35.09 22.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.089 -0.505 . . . . 18.66 111.12 -179.969 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.433 ' CB ' ' O ' ' A' ' 71' ' ' PHE . 12.2 tttt -54.17 -71.36 0.08 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.146 0.498 . . . . 19.92 110.198 179.241 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.44 -30.11 69.44 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.677 -0.692 . . . . 14.61 110.763 179.636 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.628 ' C ' HD12 ' A' ' 77' ' ' LEU . 0.6 OUTLIER -65.29 -66.47 0.54 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.361 -0.381 . . . . 19.41 110.695 179.96 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.61 ' OH ' HG13 ' D' ' 70' ' ' VAL . 19.1 m-85 -54.09 -23.36 13.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.324 -0.398 . . . . 25.11 110.887 179.85 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 4.7 mmtp -74.86 -29.14 60.94 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.348 -0.387 . . . . 27.19 110.533 179.823 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.05 -33.82 70.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.025 -0.534 . . . . 28.71 110.963 179.924 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -56.76 -50.44 72.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 33.56 110.778 -179.96 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.402 ' H ' HG23 ' A' ' 82' ' ' THR . 4.2 p . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.242 -0.885 . . . . 38.5 110.916 179.941 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 12.7 mmt180 . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.827 0.346 . . . . 43.73 111.199 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -118.16 24.32 11.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 40.89 111.023 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.6 -25.55 68.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.291 -0.413 . . . . 34.45 110.802 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.31 -56.24 22.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.293 -0.412 . . . . 33.93 110.712 179.754 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.49 -38.94 91.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.039 -0.528 . . . . 32.02 110.393 179.5 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 10.5 ttm180 -65.89 -33.61 76.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.091 -0.504 . . . . 27.5 110.088 179.344 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . 0.433 HD22 HG23 ' D' ' 73' ' ' THR . 11.5 mt -66.08 -58.69 4.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.819 -0.628 . . . . 19.52 110.737 179.829 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -46.35 -37.66 7.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.905 -0.589 . . . . 17.62 110.936 179.825 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.52 -48.32 81.22 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.896 -0.593 . . . . 23.31 110.36 179.579 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -66.42 -32.4 73.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.974 -0.557 . . . . 15.76 110.375 179.635 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . 0.726 ' HB2' HD12 ' A' ' 74' ' ' LEU . 15.0 mm-40 -71.29 -44.78 64.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.069 -0.514 . . . . 14.88 110.481 179.461 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 1.3 m -61.7 -55.83 26.14 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.121 -0.49 . . . . 14.26 110.673 179.858 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 20.4 pt-20 -51.08 -33.25 25.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.051 -0.522 . . . . 12.63 110.675 179.741 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.05 -42.55 94.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 5.79 110.569 179.694 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . 0.54 HG23 ' O ' ' B' ' 62' ' ' GLN . 3.6 t -64.16 -37.86 80.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.228 -0.442 . . . . 7.41 111.038 179.849 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 25.3 ttmt -54.96 -61.99 1.95 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.103 -0.499 . . . . 19.77 110.883 179.961 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 1.4 tttm -50.83 -36.57 38.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.134 -0.485 . . . . 14.87 110.743 179.852 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 69' ' ' MET . . . . . . . . . . . . . 30.2 ttp -67.65 -49.56 62.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.991 -0.55 . . . . 12.83 110.963 -179.92 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.615 HG13 ' OH ' ' C' ' 78' ' ' TYR . 66.5 t -74.84 -23.67 17.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 15.49 111.211 -179.876 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 18.1 t80 -65.5 -35.47 80.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.307 -0.406 . . . . 24.51 110.663 179.814 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -74.83 -45.09 45.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.054 -0.521 . . . . 27.98 110.719 179.831 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 73' ' ' THR . . . . . 0.441 HG23 HD22 ' D' ' 58' ' ' LEU . 58.2 m -57.86 -53.76 54.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 20.53 110.9 179.856 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 74' ' ' LEU . . . . . 0.543 HD23 HD12 ' B' ' 77' ' ' LEU . 56.5 mt -55.82 -41.03 73.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.267 -0.424 . . . . 22.39 110.839 179.951 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.13 -47.48 45.43 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.03 0.443 . . . . 29.21 110.742 179.783 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -71.83 -33.45 68.49 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.854 -0.612 . . . . 31.51 110.666 179.679 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.543 HD12 HD23 ' B' ' 74' ' ' LEU . 16.2 mt -62.37 -49.41 75.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.063 -0.517 . . . . 30.8 110.893 179.842 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 78' ' ' TYR . . . . . 0.571 ' HB3' ' HB1' ' A' ' 55' ' ' ALA . 23.1 m-85 -76.17 -29.69 57.81 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.153 -0.476 . . . . 33.75 110.826 179.98 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 17.6 tppt? -59.04 -27.25 65.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 38.48 110.937 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 4.9 mttm -55.29 -84.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 42.39 110.777 179.949 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . 0.538 HG23 ' O ' ' B' ' 81' ' ' THR . 7.6 t -72.71 76.46 1.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 41.97 110.886 -179.982 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.224 -0.894 . . . . 49.39 110.958 179.962 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.404 0 CA-C-O 120.828 0.347 . . . . 46.14 111.114 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 53' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -136.58 82.24 1.93 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 41.12 111.008 -179.983 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -61.05 -35.69 77.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.262 -0.426 . . . . 41.78 110.671 179.794 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 55' ' ' ALA . . . . . 0.645 ' HB1' ' HB3' ' D' ' 78' ' ' TYR . . . -63.12 -44.34 95.89 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.216 -0.447 . . . . 35.52 110.657 179.683 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.61 -49.38 68.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.09 -0.505 . . . . 30.47 110.264 179.587 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 57' ' ' ARG . . . . . . . . . . . . . 1.4 tmm_? -62.5 -44.96 95.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.85 -0.614 . . . . 38.48 110.144 179.342 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 58' ' ' LEU . . . . . 0.459 ' HA ' HD23 ' C' ' 58' ' ' LEU . 15.0 mt -57.33 -47.28 81.96 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.653 -0.703 . . . . 30.3 110.604 179.533 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 59' ' ' ALA . . . . . 0.407 ' HA ' HD13 ' D' ' 74' ' ' LEU . . . -52.84 -33.82 51.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.973 -0.558 . . . . 21.56 110.864 179.869 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -79.25 -27.23 42.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.093 -0.503 . . . . 19.77 110.716 179.822 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -70.64 -52.96 17.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 20.54 110.705 179.913 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 62' ' ' GLN . . . . . 0.791 ' HA ' HD12 ' C' ' 65' ' ' LEU . 0.4 OUTLIER -61.75 -39.3 91.11 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.997 -0.547 . . . . 22.87 110.425 179.721 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' C' C ' 63' ' ' SER . . . . . . . . . . . . . 67.2 m -62.83 -32.88 74.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.982 -0.553 . . . . 17.77 110.569 179.654 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -63.94 -43.16 96.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 26.07 110.625 179.75 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 65' ' ' LEU . . . . . 0.791 HD12 ' HA ' ' C' ' 62' ' ' GLN . 3.6 mt -59.87 -33.1 71.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 19.91 110.508 179.608 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 66' ' ' VAL . . . . . . . . . . . . . 49.1 t -74.32 -46.59 43.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.037 -0.528 . . . . 14.44 111.032 179.729 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 67' ' ' LYS . . . . . . . . . . . . . 10.6 tttm -61.69 -44.92 96.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 7.85 110.699 179.793 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 68' ' ' LYS . . . . . . . . . . . . . 1.1 mtmm -62.67 -33.77 75.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 14.54 110.626 179.833 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 69' ' ' MET . . . . . . . . . . . . . 37.1 ttp -71.32 -38.65 71.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.021 -0.536 . . . . 8.71 110.677 179.845 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 52.9 t -71.83 -41.35 69.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.072 -0.513 . . . . 9.13 110.699 179.841 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 71' ' ' PHE . . . . . 0.437 ' O ' ' CB ' ' C' ' 75' ' ' LYS . 33.2 t80 -53.71 -60.79 2.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.49 -0.323 . . . . 17.83 110.537 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.41 -42.84 61.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.423 -0.353 . . . . 14.61 110.62 179.863 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 73' ' ' THR . . . . . . . . . . . . . 18.1 m -65.63 -71.81 0.18 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 9.28 110.346 179.568 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 74' ' ' LEU . . . . . 0.699 HD12 ' HB2' ' D' ' 62' ' ' GLN . 14.3 mt -49.9 -35.26 23.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 13.03 111.025 -179.968 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 75' ' ' LYS . . . . . 0.437 ' CB ' ' O ' ' C' ' 71' ' ' PHE . 12.3 tttt -54.29 -71.44 0.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.223 -0.444 . . . . 16.33 110.085 179.355 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 76' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.32 -30.11 69.3 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.747 -0.66 . . . . 18.87 110.779 179.691 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 77' ' ' LEU . . . . . 0.628 HD12 ' C ' ' C' ' 77' ' ' LEU . 0.7 OUTLIER -65.45 -66.44 0.55 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.371 -0.377 . . . . 21.51 110.64 179.955 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' C' C ' 78' ' ' TYR . . . . . 0.615 ' OH ' HG13 ' B' ' 70' ' ' VAL . 19.1 m-85 -54.1 -23.37 13.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.467 -0.333 . . . . 27.58 110.831 179.905 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 4.7 mmtp -74.7 -29.3 61.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.921 0.391 . . . . 24.77 110.597 179.765 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.1 -33.6 70.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.993 -0.548 . . . . 29.9 110.958 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -56.86 -50.41 72.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 33.95 110.819 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 82' ' ' THR . . . . . . . . . . . . . 4.3 p . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.204 -0.903 . . . . 37.88 110.976 179.91 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' D' D ' 52' ' ' ARG . . . . . . . . . . . . . 12.7 mmt180 . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.817 0.341 . . . . 41.45 111.247 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' D' D ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -118.22 24.51 10.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 37.0 110.984 -179.963 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.7 -25.61 68.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.299 -0.409 . . . . 32.04 110.864 179.86 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' D' D ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.39 -56.36 21.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 28.73 110.603 179.808 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.31 -39.04 91.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.018 -0.537 . . . . 34.29 110.316 179.595 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' D' D ' 57' ' ' ARG . . . . . . . . . . . . . 10.4 ttm180 -65.77 -33.74 76.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.098 -0.501 . . . . 25.27 110.148 179.389 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 58' ' ' LEU . . . . . 0.441 HD22 HG23 ' B' ' 73' ' ' THR . 11.5 mt -65.91 -58.96 4.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.822 -0.626 . . . . 22.13 110.729 179.805 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' D' D ' 59' ' ' ALA . . . . . . . . . . . . . . . -46.11 -37.76 7.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.877 -0.601 . . . . 20.28 110.948 179.817 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.55 -47.99 82.38 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.897 -0.592 . . . . 22.66 110.337 179.531 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' D' D ' 61' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -66.81 -31.99 72.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.076 -0.511 . . . . 15.58 110.333 179.546 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 62' ' ' GLN . . . . . 0.699 ' HB2' HD12 ' C' ' 74' ' ' LEU . 15.5 mm-40 -71.59 -44.42 64.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.112 -0.495 . . . . 10.11 110.479 179.464 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' D' D ' 63' ' ' SER . . . . . . . . . . . . . 1.3 m -62.19 -55.87 24.34 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.04 -0.527 . . . . 15.8 110.629 179.884 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 64' ' ' GLU . . . . . . . . . . . . . 20.4 pt-20 -51.14 -33.32 26.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.106 -0.497 . . . . 15.88 110.649 179.815 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 65' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -64.98 -42.46 94.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 10.11 110.587 179.678 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' D' D ' 66' ' ' VAL . . . . . 0.54 HG23 ' O ' ' D' ' 62' ' ' GLN . 3.6 t -64.28 -37.91 81.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.208 -0.451 . . . . 7.56 111.06 179.884 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' D' D ' 67' ' ' LYS . . . . . . . . . . . . . 25.3 ttmt -54.82 -61.94 1.98 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.037 -0.528 . . . . 8.23 110.809 179.962 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 68' ' ' LYS . . . . . . . . . . . . . 1.3 tttm -50.9 -36.1 36.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 10.38 110.829 179.89 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 69' ' ' MET . . . . . . . . . . . . . 29.2 ttp -68.13 -49.34 61.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.005 -0.543 . . . . 11.54 111.01 -179.922 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 70' ' ' VAL . . . . . 0.61 HG13 ' OH ' ' A' ' 78' ' ' TYR . 61.5 t -74.86 -23.81 17.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.275 -0.42 . . . . 11.61 111.194 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 18.1 t80 -65.45 -35.53 81.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.924 0.393 . . . . 18.17 110.651 179.879 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -74.74 -45.08 46.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.11 -0.495 . . . . 25.01 110.751 179.821 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 73' ' ' THR . . . . . 0.433 HG23 HD22 ' B' ' 58' ' ' LEU . 57.2 m -58.04 -53.61 56.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.105 -0.498 . . . . 25.05 110.886 179.95 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' D' D ' 74' ' ' LEU . . . . . 0.519 HD23 HD12 ' D' ' 77' ' ' LEU . 54.6 mt -55.97 -40.72 73.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.291 -0.413 . . . . 26.4 110.792 -179.982 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' D' D ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.45 -47.49 48.22 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.258 -0.428 . . . . 27.3 110.703 179.822 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' D' D ' 76' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -71.77 -33.43 68.61 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.852 -0.613 . . . . 28.03 110.647 179.748 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 77' ' ' LEU . . . . . 0.519 HD12 HD23 ' D' ' 74' ' ' LEU . 16.2 mt -62.46 -49.58 74.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.027 -0.533 . . . . 28.77 110.812 179.837 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' D' D ' 78' ' ' TYR . . . . . 0.645 ' HB3' ' HB1' ' C' ' 55' ' ' ALA . 22.9 m-85 -75.9 -29.79 58.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.267 -0.424 . . . . 32.8 110.912 180.0 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' D' D ' 79' ' ' LYS . . . . . . . . . . . . . 17.6 tppt? -58.82 -27.67 65.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.127 -0.488 . . . . 43.75 110.888 179.972 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 80' ' ' LYS . . . . . . . . . . . . . 4.7 mttm -55.03 -83.73 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.187 -0.46 . . . . 41.06 110.888 179.987 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 81' ' ' THR . . . . . 0.53 HG23 ' O ' ' D' ' 81' ' ' THR . 7.6 t -73.1 76.56 1.24 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.27 -0.423 . . . . 40.62 110.944 179.971 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' D' D ' 82' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.126 0 CA-C-O 118.162 -0.923 . . . . 48.29 110.884 -179.966 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.487 1.422 0 CA-C-O 120.743 0.306 . . . . 44.54 111.214 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -154.8 87.08 1.14 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.319 -0.4 . . . . 40.08 111.11 -179.951 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -55.96 -32.96 64.35 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.315 -0.402 . . . . 41.32 110.844 179.805 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.25 -45.93 91.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.318 -0.401 . . . . 35.04 110.734 179.803 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -63.98 -51.67 63.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 29.94 110.51 179.625 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 44.3 mtp180 -61.48 -44.42 97.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.01 -0.541 . . . . 37.84 110.265 179.558 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.473 HD23 ' HA ' ' A' ' 58' ' ' LEU . 10.7 mt -54.07 -51.41 64.2 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.813 -0.63 . . . . 30.02 110.451 179.675 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.478 ' HA ' HD13 ' B' ' 74' ' ' LEU . . . -51.69 -34.18 37.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 21.26 110.676 179.669 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.2 -29.55 66.42 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.079 -0.51 . . . . 17.9 110.504 179.659 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.67 -47.05 27.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.1 -0.5 . . . . 19.79 110.618 179.796 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.556 ' HA ' HD12 ' A' ' 65' ' ' LEU . 49.1 mm-40 -55.33 -49.72 71.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.956 -0.565 . . . . 22.66 110.608 179.735 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.2 m -59.24 -36.91 76.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.116 -0.493 . . . . 17.73 110.571 179.699 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.421 ' O ' ' HG2' ' A' ' 67' ' ' LYS . 2.8 tt0 -58.03 -28.88 64.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.043 -0.526 . . . . 25.28 110.539 179.783 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.556 HD12 ' HA ' ' A' ' 62' ' ' GLN . 10.8 mt -77.26 -32.56 55.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.09 -0.504 . . . . 19.93 110.239 179.493 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 43.3 t -78.6 -40.86 24.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.902 -0.59 . . . . 14.55 110.763 179.624 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.421 ' HG2' ' O ' ' A' ' 64' ' ' GLU . 10.3 ptmt -61.75 -44.79 96.21 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.109 -0.496 . . . . 7.98 110.486 179.846 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.44 ' HG3' ' N ' ' A' ' 69' ' ' MET . 2.7 pttp -62.26 -41.34 98.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.07 -0.514 . . . . 14.53 110.445 179.662 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.666 ' HE2' HG21 ' C' ' 73' ' ' THR . 27.7 ttp -62.81 -39.6 94.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.081 -0.509 . . . . 9.07 110.34 179.494 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 65.2 t -71.54 -42.23 72.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.899 -0.591 . . . . 9.03 110.553 179.569 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.426 ' O ' ' CB ' ' A' ' 75' ' ' LYS . 50.7 t80 -53.41 -60.1 3.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.314 -0.403 . . . . 17.57 110.305 179.681 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -51.83 -44.93 63.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.254 -0.43 . . . . 14.09 110.461 179.753 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.638 HG21 ' HE2' ' C' ' 69' ' ' MET . 19.6 m -64.92 -70.56 0.22 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 9.07 110.348 179.638 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.734 HD12 ' HB2' ' B' ' 62' ' ' GLN . 12.3 mt -49.31 -35.23 17.56 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.144 -0.48 . . . . 12.87 111.013 179.921 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.426 ' CB ' ' O ' ' A' ' 71' ' ' PHE . 5.5 tttp -54.53 -70.51 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.099 -0.501 . . . . 16.02 110.292 179.667 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -61.98 -25.17 67.47 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.799 -0.637 . . . . 18.56 110.95 179.87 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.862 ' O ' HD12 ' A' ' 77' ' ' LEU . 0.8 OUTLIER -72.19 -44.28 63.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.397 -0.365 . . . . 21.43 110.978 -179.752 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.515 ' OH ' HG13 ' D' ' 70' ' ' VAL . 14.8 m-85 -72.65 -24.09 61.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.859 0.362 . . . . 27.33 110.77 179.703 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -74.91 -30.85 61.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 24.52 110.346 179.512 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 12.1 tttm -71.32 -33.26 69.5 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.943 -0.572 . . . . 29.7 110.796 179.807 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -55.54 -76.95 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 33.71 110.893 179.864 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 8.6 t . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.155 -0.926 . . . . 39.73 110.871 -179.919 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 8.1 mtt180 . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.814 0.34 . . . . 47.58 111.186 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 176.05 179.5 0.17 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 38.7 111.043 179.862 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.75 -21.69 62.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 32.75 111.179 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.48 -46.44 86.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.414 -0.357 . . . . 29.28 111.176 179.994 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.34 -55.76 14.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 33.3 110.98 -179.86 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 20.3 mmt180 -49.81 -31.91 12.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 26.06 111.054 -179.927 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . 0.687 HD22 HG23 ' D' ' 73' ' ' THR . 20.5 mt -69.75 -60.52 2.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 22.42 111.159 -179.973 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -44.33 -28.9 0.59 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.004 -0.544 . . . . 20.67 111.353 -179.854 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -73.96 -45.67 48.77 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.101 -0.499 . . . . 22.1 110.749 179.761 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -61.77 -33.5 74.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.264 -0.426 . . . . 13.25 110.766 179.833 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . 0.734 ' HB2' HD12 ' A' ' 74' ' ' LEU . 3.9 mm-40 -70.79 -50.1 39.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.193 -0.458 . . . . 10.43 110.747 179.833 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 1.3 m -51.54 -58.0 7.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.283 -0.417 . . . . 16.19 110.534 179.872 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . 0.4 ' HG3' ' N ' ' B' ' 65' ' ' LEU . 8.8 pt-20 -52.38 -33.48 43.51 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 116.106 -0.497 . . . . 16.14 110.554 179.709 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . 0.4 ' N ' ' HG3' ' B' ' 64' ' ' GLU . 0.2 OUTLIER -69.66 -45.59 68.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.992 -0.549 . . . . 9.76 110.622 179.797 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . 0.61 HG23 ' O ' ' B' ' 62' ' ' GLN . 17.8 t -63.63 -33.88 64.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.154 -0.475 . . . . 7.52 111.028 179.821 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.62 -56.04 24.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 8.45 110.815 179.914 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.94 -35.43 61.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.224 -0.443 . . . . 11.73 110.724 179.799 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 69' ' ' MET . . . . . . . . . . . . . 35.6 ttp -67.1 -50.71 60.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.114 -0.494 . . . . 11.51 110.867 179.979 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.518 HG13 ' OH ' ' C' ' 78' ' ' TYR . 51.4 t -74.27 -24.26 18.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.03 -0.532 . . . . 11.48 111.213 -179.891 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -60.74 -45.78 92.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.266 -0.424 . . . . 17.94 110.698 179.723 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -69.23 -40.86 77.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 25.19 110.59 179.813 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 73' ' ' THR . . . . . 0.667 HG23 HD22 ' D' ' 58' ' ' LEU . 52.9 m -57.06 -45.92 82.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.453 . . . . 24.89 110.661 179.782 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 74' ' ' LEU . . . . . 0.478 HD13 ' HA ' ' A' ' 59' ' ' ALA . 68.7 mt -64.46 -37.73 88.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.487 . . . . 26.7 110.827 179.83 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 2.2 ttpt -51.69 -41.69 61.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 27.19 110.52 179.806 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -77.01 -35.12 57.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.998 -0.546 . . . . 27.91 110.491 179.568 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.446 HD11 ' CD1' ' C' ' 78' ' ' TYR . 13.7 mt -58.88 -49.91 75.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.993 -0.549 . . . . 28.97 110.744 179.664 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -76.23 -42.04 47.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.048 -0.524 . . . . 33.31 110.9 179.908 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 8.9 tttp -57.3 -38.61 74.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.494 . . . . 45.57 110.963 -179.964 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 45.2 tttp -54.02 -68.77 0.15 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.287 -0.415 . . . . 41.54 110.735 179.885 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . 0.484 HG23 ' O ' ' B' ' 81' ' ' THR . 5.7 t -74.62 76.5 2.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 40.96 110.877 179.956 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.511 ' OXT' HG23 ' B' ' 82' ' ' THR . 14.3 t . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.18 -0.914 . . . . 48.78 110.879 -179.962 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.819 0.343 . . . . 45.62 111.183 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 53' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -155.09 87.51 1.13 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 35.46 111.008 179.976 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -56.41 -32.88 65.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 36.37 110.774 179.918 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.16 -45.83 91.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.319 -0.401 . . . . 30.26 110.732 179.719 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -64.23 -51.53 63.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.092 -0.504 . . . . 26.52 110.589 179.691 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 57' ' ' ARG . . . . . . . . . . . . . 43.7 mtp180 -61.61 -44.39 97.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.995 -0.548 . . . . 26.34 110.275 179.517 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 58' ' ' LEU . . . . . 0.478 ' HA ' HD23 ' C' ' 58' ' ' LEU . 10.7 mt -53.88 -51.48 63.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.766 -0.652 . . . . 25.82 110.535 179.633 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.68 -34.26 37.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.093 -0.503 . . . . 23.66 110.683 179.785 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.92 -29.98 67.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.053 -0.521 . . . . 25.29 110.578 179.657 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.27 -47.18 29.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.999 -0.546 . . . . 26.74 110.586 179.792 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 62' ' ' GLN . . . . . 0.539 ' HA ' HD12 ' C' ' 65' ' ' LEU . 49.4 mm-40 -55.11 -50.01 70.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.95 -0.568 . . . . 20.48 110.533 179.734 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 63' ' ' SER . . . . . 0.437 ' CB ' ' HG2' ' D' ' 67' ' ' LYS . 1.2 m -59.02 -36.92 75.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.113 -0.494 . . . . 15.84 110.679 179.666 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 64' ' ' GLU . . . . . 0.421 ' O ' ' HG2' ' C' ' 67' ' ' LYS . 2.8 tt0 -58.05 -28.8 64.85 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.058 -0.519 . . . . 18.96 110.56 179.746 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 65' ' ' LEU . . . . . 0.539 HD12 ' HA ' ' C' ' 62' ' ' GLN . 11.0 mt -77.31 -32.63 55.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.032 -0.531 . . . . 15.19 110.191 179.559 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 66' ' ' VAL . . . . . . . . . . . . . 43.4 t -78.59 -40.9 24.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.891 -0.595 . . . . 10.51 110.788 179.605 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 67' ' ' LYS . . . . . 0.421 ' HG2' ' O ' ' C' ' 64' ' ' GLU . 10.2 ptmt -61.56 -44.77 96.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 20.07 110.59 179.719 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 68' ' ' LYS . . . . . 0.434 ' HG3' ' N ' ' C' ' 69' ' ' MET . 2.7 pttp -62.38 -41.37 98.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.107 -0.497 . . . . 18.34 110.45 179.581 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 69' ' ' MET . . . . . 0.638 ' HE2' HG21 ' A' ' 73' ' ' THR . 28.2 ttp -62.74 -39.63 94.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.061 -0.518 . . . . 7.88 110.248 179.542 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 68.4 t -71.58 -42.35 71.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.962 -0.563 . . . . 3.85 110.528 179.625 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 71' ' ' PHE . . . . . 0.423 ' O ' ' CB ' ' C' ' 75' ' ' LYS . 50.9 t80 -53.23 -60.38 3.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.301 -0.409 . . . . 12.6 110.284 179.682 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -51.57 -44.91 62.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 7.75 110.5 179.764 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 73' ' ' THR . . . . . 0.666 HG21 ' HE2' ' A' ' 69' ' ' MET . 19.5 m -64.98 -70.64 0.22 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.11 -0.496 . . . . 13.76 110.369 179.63 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 74' ' ' LEU . . . . . 0.758 HD12 ' HB2' ' D' ' 62' ' ' GLN . 12.1 mt -49.38 -35.04 17.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 18.68 110.991 179.938 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 75' ' ' LYS . . . . . 0.423 ' CB ' ' O ' ' C' ' 71' ' ' PHE . 5.4 tttp -54.54 -70.56 0.1 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.171 -0.468 . . . . 21.51 110.275 179.586 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 76' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -61.86 -25.52 67.58 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.752 -0.658 . . . . 14.7 111.004 179.853 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 77' ' ' LEU . . . . . 0.857 ' O ' HD12 ' C' ' 77' ' ' LEU . 0.8 OUTLIER -71.75 -44.33 64.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.366 -0.379 . . . . 19.7 110.951 -179.787 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' C' C ' 78' ' ' TYR . . . . . 0.518 ' OH ' HG13 ' B' ' 70' ' ' VAL . 14.7 m-85 -72.69 -24.26 60.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.422 -0.354 . . . . 25.31 110.611 179.843 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -74.79 -30.74 61.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.284 -0.416 . . . . 27.49 110.411 179.541 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 11.9 tttm -71.38 -33.27 69.37 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.918 -0.583 . . . . 29.02 110.842 179.746 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -55.64 -76.81 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.102 -0.499 . . . . 33.46 110.92 179.948 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 82' ' ' THR . . . . . . . . . . . . . 8.5 t . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.181 -0.914 . . . . 39.5 110.88 -179.98 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' D' D ' 52' ' ' ARG . . . . . . . . . . . . . 8.3 mtt180 . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.813 0.339 . . . . 45.88 111.136 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' D' D ' 53' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 176.01 179.43 0.17 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.298 -0.41 . . . . 41.14 111.004 179.932 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.81 -21.61 62.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.473 . . . . 34.71 111.141 179.978 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' D' D ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.56 -46.41 86.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.421 -0.354 . . . . 33.95 111.131 -179.942 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.28 -55.76 14.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.431 . . . . 30.49 110.983 -179.923 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' D' D ' 57' ' ' ARG . . . . . . . . . . . . . 20.3 mmt180 -49.7 -32.33 13.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 29.75 110.989 -179.842 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 58' ' ' LEU . . . . . 0.667 HD22 HG23 ' B' ' 73' ' ' THR . 20.1 mt -69.49 -61.13 1.91 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 19.42 111.083 -179.857 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' D' D ' 59' ' ' ALA . . . . . . . . . . . . . . . -43.58 -29.27 0.46 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.901 -0.591 . . . . 18.31 111.33 -179.96 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 60' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -73.83 -45.84 48.77 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.039 -0.528 . . . . 23.15 110.808 179.769 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 61' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -61.51 -33.69 74.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 15.97 110.795 179.836 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 62' ' ' GLN . . . . . 0.758 ' HB2' HD12 ' C' ' 74' ' ' LEU . 3.8 mm-40 -70.65 -50.4 37.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.485 . . . . 14.94 110.739 179.846 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' D' D ' 63' ' ' SER . . . . . . . . . . . . . 1.2 m -51.09 -57.96 7.32 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.347 -0.388 . . . . 14.24 110.602 179.854 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 64' ' ' GLU . . . . . 0.4 ' HG3' ' N ' ' D' ' 65' ' ' LEU . 8.9 pt-20 -52.4 -33.39 43.35 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 116.043 -0.526 . . . . 12.38 110.58 179.604 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' D' D ' 65' ' ' LEU . . . . . 0.4 ' N ' ' HG3' ' D' ' 64' ' ' GLU . 0.2 OUTLIER -69.58 -45.67 68.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.995 -0.548 . . . . 5.69 110.678 179.687 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' D' D ' 66' ' ' VAL . . . . . 0.587 HG23 ' O ' ' D' ' 62' ' ' GLN . 17.4 t -63.53 -34.01 64.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.056 -0.52 . . . . 7.43 111.062 179.828 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' D' D ' 67' ' ' LYS . . . . . 0.437 ' HG2' ' CB ' ' C' ' 63' ' ' SER . 0.0 OUTLIER -61.51 -56.15 23.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 18.63 110.779 179.903 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' D' D ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.96 -35.38 61.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 17.1 110.802 179.906 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' D' D ' 69' ' ' MET . . . . . 0.424 ' CE ' ' HB3' ' B' ' 62' ' ' GLN . 36.4 ttp -67.22 -50.52 60.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.111 -0.495 . . . . 12.79 110.884 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' D' D ' 70' ' ' VAL . . . . . 0.515 HG13 ' OH ' ' A' ' 78' ' ' TYR . 52.1 t -74.27 -24.37 18.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.055 -0.521 . . . . 15.42 111.17 -179.905 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 31.2 t80 -60.79 -45.8 92.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 24.4 110.642 179.811 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -69.11 -40.9 78.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 28.21 110.561 179.775 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 73' ' ' THR . . . . . 0.687 HG23 HD22 ' B' ' 58' ' ' LEU . 51.8 m -56.96 -45.94 82.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 20.28 110.768 179.759 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' D' D ' 74' ' ' LEU . . . . . . . . . . . . . 67.6 mt -64.51 -37.71 88.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 22.27 110.754 179.897 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 75' ' ' LYS . . . . . . . . . . . . . 2.1 ttpt -51.56 -41.92 61.47 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.2 -0.455 . . . . 29.18 110.462 179.781 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 76' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -76.93 -35.02 57.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.967 -0.561 . . . . 31.29 110.495 179.675 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 77' ' ' LEU . . . . . 0.477 HD11 ' CD1' ' A' ' 78' ' ' TYR . 13.6 mt -59.05 -49.83 76.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.009 -0.542 . . . . 30.67 110.758 179.667 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' D' D ' 78' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -76.17 -42.05 47.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.103 -0.499 . . . . 33.62 110.896 179.907 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 79' ' ' LYS . . . . . . . . . . . . . 8.8 tttp -57.32 -38.45 74.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.084 -0.507 . . . . 40.28 110.94 -179.909 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 80' ' ' LYS . . . . . . . . . . . . . 45.2 tttp -54.34 -68.18 0.2 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.356 -0.384 . . . . 41.98 110.823 -179.981 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 81' ' ' THR . . . . . 0.482 HG23 ' O ' ' D' ' 81' ' ' THR . 5.6 t -75.08 76.56 2.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 41.57 110.798 179.903 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' D' D ' 82' ' ' THR . . . . . 0.505 HG23 ' OXT' ' D' ' 82' ' ' THR . 14.4 t . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.21 -0.9 . . . . 48.87 110.914 -179.844 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 . . . . . 0 N--CA 1.487 1.402 0 CA-C-O 120.719 0.295 . . . . 48.18 111.147 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 68.79 75.53 0.25 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 37.24 111.053 -179.982 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -54.87 -31.82 60.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 40.3 110.68 179.85 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.66 -40.42 96.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 31.48 110.723 179.734 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.07 -50.83 52.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.095 -0.502 . . . . 28.3 110.495 179.585 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 2.4 mmt180 -63.43 -44.42 94.63 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.975 -0.557 . . . . 28.42 110.316 179.528 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.505 HD23 ' HA ' ' A' ' 58' ' ' LEU . 11.6 mt -53.8 -50.72 65.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.872 -0.604 . . . . 30.46 110.433 179.486 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.52 -38.06 52.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.046 -0.525 . . . . 24.51 110.85 179.771 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.66 -26.39 37.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.021 -0.536 . . . . 24.97 110.66 179.852 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -73.24 -51.3 18.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 26.6 110.696 179.874 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.529 ' HB2' HD13 ' B' ' 74' ' ' LEU . 55.5 mm-40 -61.39 -36.05 79.2 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.019 -0.537 . . . . 18.69 110.754 179.8 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 24.8 p -65.04 -36.83 85.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 16.33 110.64 179.794 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -56.39 -55.53 32.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.431 . . . . 19.84 110.646 179.824 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.9 mt -51.08 -38.0 49.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 18.9 110.578 179.719 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 64.8 t -69.96 -50.6 47.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.049 -0.523 . . . . 10.35 110.925 179.83 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 24.0 tttm -57.65 -41.43 81.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.121 -0.491 . . . . 15.84 110.823 179.9 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 15.6 ttpt -60.44 -38.27 83.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 22.14 110.608 179.753 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 36.1 ttp -64.42 -44.62 90.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 9.14 110.556 179.632 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.602 HG21 HG21 ' B' ' 66' ' ' VAL . 92.9 t -66.89 -43.57 89.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.143 -0.48 . . . . 7.3 110.994 179.93 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.421 ' O ' ' CB ' ' A' ' 75' ' ' LYS . 21.1 t80 -53.41 -60.62 3.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.812 0.339 . . . . 18.89 110.591 179.972 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -53.14 -42.39 66.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.384 -0.371 . . . . 11.53 110.556 179.82 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 20.7 m -66.96 -69.52 0.3 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.435 . . . . 10.63 110.277 179.635 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.471 ' HG ' HG13 ' A' ' 70' ' ' VAL . 13.5 mt -50.67 -37.11 39.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.048 -0.524 . . . . 18.05 111.185 179.936 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.421 ' CB ' ' O ' ' A' ' 71' ' ' PHE . 3.9 tttp -52.98 -71.06 0.07 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.105 0.479 . . . . 20.97 110.05 179.405 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -61.28 -32.28 72.12 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.582 -0.736 . . . . 17.38 110.934 179.83 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.633 ' O ' HD12 ' A' ' 77' ' ' LEU . 0.7 OUTLIER -61.94 -58.78 6.61 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.435 -0.348 . . . . 19.73 110.722 -179.937 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.449 ' CE2' ' HB3' ' A' ' 74' ' ' LEU . 21.0 m-85 -62.4 -23.61 66.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.321 -0.4 . . . . 26.67 110.905 179.799 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.67 -33.13 62.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.318 -0.401 . . . . 27.62 110.609 179.772 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 8.7 tmtt? -69.39 -34.79 75.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.099 -0.501 . . . . 31.15 110.81 179.868 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -56.48 -80.09 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.132 -0.486 . . . . 34.06 110.935 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.7 t . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.174 -0.917 . . . . 41.57 110.982 179.999 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.398 0 CA-C-O 120.86 0.362 . . . . 46.11 111.137 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 53' ' ' ASN . . . . . 0.684 ' ND2' ' HB3' ' B' ' 55' ' ' ALA . 1.2 p-10 -161.29 176.48 11.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.097 -0.501 . . . . 38.43 110.777 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -50.77 -41.29 56.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 31.77 110.934 179.977 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 55' ' ' ALA . . . . . 0.684 ' HB3' ' ND2' ' B' ' 53' ' ' ASN . . . -51.7 -42.42 62.2 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.157 -0.474 . . . . 31.25 110.764 179.77 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 9.5 tm-20 -72.41 -35.55 68.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.072 -0.513 . . . . 29.27 110.674 179.704 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 3.7 mpt_? -65.73 -36.61 84.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 21.99 110.687 179.791 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . 0.952 HD13 ' CG2' ' D' ' 73' ' ' THR . 78.0 mt -67.4 -51.59 50.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.015 -0.539 . . . . 17.79 110.647 179.872 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 59' ' ' ALA . . . . . 0.409 ' O ' ' CB ' ' B' ' 63' ' ' SER . . . -49.98 -37.45 32.45 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.972 -0.558 . . . . 18.68 110.983 179.799 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 60' ' ' ASP . . . . . 0.419 ' HA ' ' HG ' ' B' ' 63' ' ' SER . 33.2 t0 -70.86 -50.69 32.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 22.93 110.926 179.845 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -62.36 -38.29 88.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 16.15 110.683 179.699 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . 0.471 ' HB3' ' CD1' ' A' ' 74' ' ' LEU . 0.2 OUTLIER -76.44 -41.93 45.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.034 -0.53 . . . . 14.36 110.818 179.812 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' B' B ' 63' ' ' SER . . . . . 0.419 ' HG ' ' HA ' ' B' ' 60' ' ' ASP . 79.5 p -66.17 -54.61 23.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.297 -0.41 . . . . 12.88 110.531 179.791 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -51.24 -38.26 51.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.137 -0.483 . . . . 7.8 110.698 179.735 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.77 -42.9 94.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.019 -0.537 . . . . 5.81 110.68 179.79 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . 0.739 HG13 ' CE ' ' B' ' 69' ' ' MET . 59.1 t -58.53 -36.05 57.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 5.82 110.908 179.859 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . 0.421 ' O ' ' HB2' ' B' ' 71' ' ' PHE . 7.1 ttpt -69.26 -31.78 70.55 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.129 -0.487 . . . . 14.13 110.643 179.842 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 12.9 tttt -74.56 -38.74 62.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.079 -0.51 . . . . 17.83 110.794 179.948 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 69' ' ' MET . . . . . 0.739 ' CE ' HG13 ' B' ' 66' ' ' VAL . 20.8 ptt? -74.42 -36.01 63.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.327 -0.397 . . . . 12.91 110.739 179.951 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.662 HG23 ' O ' ' B' ' 66' ' ' VAL . 58.3 t -80.14 -31.79 13.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.082 -0.508 . . . . 15.42 111.174 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.421 ' HB2' ' O ' ' B' ' 67' ' ' LYS . 14.0 t80 -58.85 -53.0 63.34 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.324 -0.398 . . . . 24.69 110.589 179.707 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.36 -44.69 96.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 28.54 110.68 179.769 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 73' ' ' THR . . . . . 0.966 ' CG2' HD13 ' D' ' 58' ' ' LEU . 63.5 m -56.47 -62.14 1.93 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.111 -0.495 . . . . 22.92 110.82 179.764 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 74' ' ' LEU . . . . . 0.529 HD13 ' HB2' ' A' ' 62' ' ' GLN . 49.4 mt -50.57 -39.29 49.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 20.99 110.96 -179.924 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 2.1 ttpt -49.89 -49.11 50.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.939 0.4 . . . . 25.81 110.61 179.919 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -70.55 -37.54 74.05 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.921 -0.582 . . . . 30.26 110.694 179.716 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.465 HD12 ' HA ' ' B' ' 74' ' ' LEU . 9.7 mt -56.2 -50.03 72.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.049 -0.523 . . . . 30.32 110.967 179.845 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 39.3 m-85 -71.16 -43.84 66.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 31.34 110.98 -179.946 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.3 -37.58 24.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.46 . . . . 41.4 110.949 -179.936 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 11.6 tptt -60.81 -21.45 63.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 39.09 111.07 179.983 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . 0.451 HG23 ' O ' ' B' ' 81' ' ' THR . 9.9 t -169.41 118.05 0.64 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.418 -0.355 . . . . 39.16 110.837 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 1.6 t . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.244 -0.884 . . . . 43.92 110.938 179.923 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' C' C ' 52' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 . . . . . 0 N--CA 1.485 1.302 0 CA-C-O 120.778 0.323 . . . . 45.76 111.196 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' C' C ' 53' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 69.04 75.38 0.24 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 41.03 111.01 179.861 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -54.74 -31.77 58.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.271 -0.422 . . . . 38.13 110.725 179.872 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.81 -40.19 96.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.449 . . . . 34.74 110.724 179.78 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.36 -50.73 51.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.083 -0.508 . . . . 30.14 110.43 179.624 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' C' C ' 57' ' ' ARG . . . . . . . . . . . . . 2.4 mmt180 -63.5 -44.34 94.61 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.038 -0.528 . . . . 36.5 110.245 179.577 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 58' ' ' LEU . . . . . 0.486 HD23 ' HA ' ' C' ' 58' ' ' LEU . 11.4 mt -53.89 -50.77 65.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.831 -0.622 . . . . 25.16 110.456 179.551 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.62 -37.91 52.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.966 -0.561 . . . . 20.25 110.809 179.724 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.59 -26.59 37.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.036 -0.529 . . . . 20.91 110.704 179.775 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -73.07 -51.22 18.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.06 -0.518 . . . . 22.79 110.731 179.885 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 62' ' ' GLN . . . . . 0.44 ' HB2' HD13 ' D' ' 74' ' ' LEU . 56.0 mm-40 -61.53 -35.96 79.22 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.952 -0.567 . . . . 25.31 110.738 179.865 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' C' C ' 63' ' ' SER . . . . . . . . . . . . . 24.7 p -65.16 -36.94 85.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 17.18 110.67 179.856 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -56.21 -55.43 33.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 26.2 110.653 179.79 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 65' ' ' LEU . . . . . . . . . . . . . 1.9 mt -51.3 -37.97 50.37 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.14 -0.482 . . . . 17.34 110.573 179.75 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 66' ' ' VAL . . . . . . . . . . . . . 64.2 t -69.86 -50.73 46.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.017 -0.538 . . . . 15.03 110.912 179.768 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 67' ' ' LYS . . . . . . . . . . . . . 24.0 tttm -57.5 -41.44 80.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.047 -0.524 . . . . 12.56 110.853 179.826 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 68' ' ' LYS . . . . . . . . . . . . . 15.6 ttpt -60.39 -38.31 83.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.438 . . . . 12.57 110.62 179.78 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 69' ' ' MET . . . . . . . . . . . . . 36.1 ttp -64.46 -44.73 90.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.071 -0.513 . . . . 7.66 110.561 179.688 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 70' ' ' VAL . . . . . 0.514 HG21 HG21 ' D' ' 66' ' ' VAL . 94.0 t -66.71 -43.58 90.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 8.98 111.032 179.821 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' C' C ' 71' ' ' PHE . . . . . 0.429 ' O ' ' CB ' ' C' ' 75' ' ' LYS . 21.1 t80 -53.44 -60.56 3.14 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.956 -0.297 . . . . 10.15 110.608 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -53.21 -42.1 65.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.33 -0.396 . . . . 11.37 110.564 179.884 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 73' ' ' THR . . . . . . . . . . . . . 20.7 m -67.3 -69.45 0.31 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 12.86 110.285 179.653 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 74' ' ' LEU . . . . . 0.468 ' HG ' HG13 ' C' ' 70' ' ' VAL . 13.3 mt -50.7 -36.96 38.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.059 -0.519 . . . . 14.26 111.127 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' C' C ' 75' ' ' LYS . . . . . 0.429 ' CB ' ' O ' ' C' ' 71' ' ' PHE . 3.9 tttp -53.12 -71.24 0.07 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.084 0.469 . . . . 13.37 110.011 179.298 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' C' C ' 76' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -61.24 -32.04 71.83 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.643 -0.708 . . . . 16.71 110.951 179.807 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 77' ' ' LEU . . . . . 0.631 ' O ' HD12 ' C' ' 77' ' ' LEU . 0.8 OUTLIER -62.08 -58.7 6.83 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.501 -0.318 . . . . 21.15 110.815 179.961 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' C' C ' 78' ' ' TYR . . . . . 0.443 ' CE2' ' HB3' ' C' ' 74' ' ' LEU . 20.9 m-85 -62.47 -23.64 67.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 23.99 110.901 179.822 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.68 -33.04 62.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.358 -0.383 . . . . 28.1 110.612 179.789 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 8.8 tmtt? -69.47 -34.81 74.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.085 -0.507 . . . . 26.95 110.772 179.877 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -56.54 -80.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 32.96 110.887 -179.97 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' C' C ' 82' ' ' THR . . . . . . . . . . . . . 11.9 t . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.214 -0.898 . . . . 37.48 110.886 179.956 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' D' D ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.845 0.355 . . . . 45.66 111.193 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 53' ' ' ASN . . . . . 0.693 ' ND2' ' HB3' ' D' ' 55' ' ' ALA . 1.2 p-10 -161.34 176.33 11.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.09 -0.505 . . . . 39.11 110.856 179.89 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -50.67 -41.07 55.16 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.234 -0.439 . . . . 33.32 110.922 -179.955 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 55' ' ' ALA . . . . . 0.693 ' HB3' ' ND2' ' D' ' 53' ' ' ASN . . . -51.87 -42.37 62.6 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.156 -0.474 . . . . 30.69 110.749 179.848 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 9.5 tm-20 -72.49 -35.57 68.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.038 -0.528 . . . . 29.44 110.668 179.743 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 57' ' ' ARG . . . . . . . . . . . . . 3.7 mpt_? -65.73 -36.34 83.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.074 -0.512 . . . . 30.24 110.73 179.761 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 58' ' ' LEU . . . . . 0.966 HD13 ' CG2' ' B' ' 73' ' ' THR . 77.2 mt -67.72 -51.21 52.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.057 -0.52 . . . . 21.79 110.657 179.815 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' D' D ' 59' ' ' ALA . . . . . 0.409 ' O ' ' CB ' ' D' ' 63' ' ' SER . . . -50.34 -37.53 37.33 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.013 -0.539 . . . . 18.87 110.866 179.928 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' D' D ' 60' ' ' ASP . . . . . 0.411 ' HA ' ' HG ' ' D' ' 63' ' ' SER . 31.0 t0 -70.88 -50.15 38.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.09 -0.505 . . . . 16.21 110.876 179.986 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' D' D ' 61' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -62.92 -38.3 90.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.882 0.372 . . . . 10.91 110.614 179.701 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 62' ' ' GLN . . . . . 0.448 ' HB3' ' CD1' ' C' ' 74' ' ' LEU . 0.3 OUTLIER -76.11 -42.11 48.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.028 -0.533 . . . . 11.28 110.741 179.806 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' D' D ' 63' ' ' SER . . . . . 0.411 ' HG ' ' HA ' ' D' ' 60' ' ' ASP . 80.2 p -66.17 -55.0 18.49 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.228 -0.442 . . . . 16.59 110.597 179.775 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' D' D ' 64' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -50.85 -38.3 48.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.099 -0.5 . . . . 16.44 110.733 179.732 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 65' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.79 -42.93 94.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.04 -0.527 . . . . 8.91 110.745 179.782 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' D' D ' 66' ' ' VAL . . . . . 0.739 HG13 ' CE ' ' D' ' 69' ' ' MET . 58.5 t -58.57 -35.74 56.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.059 -0.518 . . . . 9.4 111.021 179.791 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' D' D ' 67' ' ' LYS . . . . . 0.419 ' O ' ' HB2' ' D' ' 71' ' ' PHE . 7.1 ttpt -69.53 -31.86 70.33 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.085 -0.507 . . . . 15.99 110.65 179.797 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' D' D ' 68' ' ' LYS . . . . . . . . . . . . . 13.0 tttt -74.37 -38.85 63.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.047 -0.524 . . . . 9.81 110.785 179.871 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 69' ' ' MET . . . . . 0.739 ' CE ' HG13 ' D' ' 66' ' ' VAL . 20.8 ptt? -74.36 -36.07 63.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.328 -0.397 . . . . 10.89 110.771 179.962 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' D' D ' 70' ' ' VAL . . . . . 0.67 HG23 ' O ' ' D' ' 66' ' ' VAL . 59.0 t -80.02 -31.83 13.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.477 . . . . 11.55 111.111 179.947 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' D' D ' 71' ' ' PHE . . . . . 0.419 ' HB2' ' O ' ' D' ' 67' ' ' LYS . 14.0 t80 -58.84 -53.3 59.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.341 -0.391 . . . . 18.53 110.61 179.763 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.86 -45.0 96.25 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.234 -0.439 . . . . 24.0 110.723 179.641 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' D' D ' 73' ' ' THR . . . . . 0.952 ' CG2' HD13 ' B' ' 58' ' ' LEU . 63.1 m -56.16 -62.28 1.82 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.084 -0.507 . . . . 22.71 110.876 179.724 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' D' D ' 74' ' ' LEU . . . . . 0.485 ' CD1' HG12 ' D' ' 70' ' ' VAL . 49.0 mt -50.55 -39.31 48.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 26.96 110.989 -179.91 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' D' D ' 75' ' ' LYS . . . . . . . . . . . . . 2.0 ttpt -49.87 -48.9 51.06 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.26 -0.427 . . . . 29.38 110.761 179.899 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 76' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -70.71 -37.44 73.55 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.916 -0.584 . . . . 29.2 110.718 179.712 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 77' ' ' LEU . . . . . 0.469 HD12 ' HA ' ' D' ' 74' ' ' LEU . 9.8 mt -56.29 -50.17 72.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.072 -0.513 . . . . 28.68 110.934 179.745 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' D' D ' 78' ' ' TYR . . . . . . . . . . . . . 39.0 m-85 -70.91 -43.97 67.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 34.37 111.0 -179.921 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.38 -37.56 25.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 42.46 110.967 -179.908 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' D' D ' 80' ' ' LYS . . . . . . . . . . . . . 11.5 tptt -60.88 -21.36 63.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.272 -0.422 . . . . 42.36 111.014 179.958 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 81' ' ' THR . . . . . 0.452 HG23 ' O ' ' D' ' 81' ' ' THR . 9.8 t -169.42 118.04 0.64 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.446 -0.343 . . . . 40.13 110.875 179.967 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' D' D ' 82' ' ' THR . . . . . . . . . . . . . 1.6 t . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.264 -0.874 . . . . 47.21 110.926 179.944 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 29.1 ttm-85 . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.835 0.35 . . . . 45.84 111.175 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -165.6 102.65 0.7 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.206 -0.452 . . . . 37.2 110.95 179.904 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -63.8 -30.78 71.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 36.7 110.79 179.882 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.523 ' HB1' ' CB ' ' B' ' 78' ' ' TYR . . . -62.32 -35.55 79.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 31.18 110.442 179.594 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -71.13 -54.86 9.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.017 -0.538 . . . . 27.26 110.212 179.34 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 1.7 mtp85 -60.81 -40.43 92.68 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.791 -0.641 . . . . 28.77 110.216 179.412 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.453 HD23 ' HA ' ' A' ' 58' ' ' LEU . 14.6 mt -61.7 -52.83 62.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.853 -0.612 . . . . 24.99 110.744 179.661 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -49.13 -30.18 6.32 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.101 -0.5 . . . . 23.2 111.082 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -81.41 -28.72 34.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.428 . . . . 25.47 110.701 179.821 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -78.15 -47.66 17.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 28.43 110.674 179.846 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.568 ' HB2' HD13 ' B' ' 74' ' ' LEU . 50.8 mm-40 -59.37 -45.46 91.37 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.883 -0.599 . . . . 22.27 110.762 179.915 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 82.1 p -62.31 -35.78 80.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 16.14 110.763 179.757 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -58.27 -38.69 77.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 20.34 110.785 179.767 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.8 mt -63.73 -45.01 91.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 14.75 110.724 179.821 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 41.8 t -64.32 -40.6 89.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.071 -0.513 . . . . 10.73 111.012 179.906 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.405 ' HG3' ' HB2' ' B' ' 63' ' ' SER . 35.1 tttt -59.67 -51.18 70.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 19.72 110.715 179.86 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.0 ttmt -55.66 -38.24 69.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 18.69 110.523 179.751 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 47.4 ttp -63.1 -39.62 95.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.096 -0.502 . . . . 7.14 110.585 179.706 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 24.6 t -72.96 -45.65 54.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 5.1 110.631 179.799 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.431 ' O ' ' HB2' ' A' ' 75' ' ' LYS . 22.0 t80 -51.49 -72.97 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.941 -0.392 . . . . 9.45 109.941 179.429 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -44.52 -34.51 2.13 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.257 -0.428 . . . . 8.58 110.947 179.482 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.0 m -68.12 -73.53 0.14 Allowed 'General case' 0 N--CA 1.454 -0.246 0 CA-C-O 120.963 0.411 . . . . 14.36 110.179 179.501 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.684 HD12 ' HB2' ' B' ' 62' ' ' GLN . 21.1 mt -51.04 -32.05 20.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.997 -0.547 . . . . 18.43 111.103 179.863 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.431 ' HB2' ' O ' ' A' ' 71' ' ' PHE . 2.2 ttmt -54.67 -62.07 1.9 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.317 -0.401 . . . . 18.73 110.517 179.711 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.15 -32.67 72.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.072 -0.513 . . . . 14.42 110.766 179.801 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.624 ' C ' HD12 ' A' ' 77' ' ' LEU . 0.6 OUTLIER -66.72 -65.55 0.67 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.109 -0.496 . . . . 19.76 110.461 179.889 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.789 ' OH ' HG13 ' D' ' 70' ' ' VAL . 21.1 m-30 -54.81 -26.34 34.21 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.871 0.367 . . . . 24.56 110.686 179.647 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 3.5 mttt -66.81 -40.97 88.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.091 -0.504 . . . . 29.43 110.929 179.978 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 5.0 ttpt -68.19 -33.73 74.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.224 -0.444 . . . . 28.41 110.833 -179.985 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.408 ' OG1' ' HA ' ' A' ' 78' ' ' TYR . 0.1 OUTLIER -58.49 -47.29 84.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 33.57 110.893 179.92 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.0 p . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.234 -0.888 . . . . 39.54 110.886 -179.921 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 16.1 mmt180 . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.814 0.34 . . . . 44.18 111.21 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -95.11 24.11 5.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.101 -0.5 . . . . 41.1 110.893 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -64.41 -24.92 67.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.318 -0.401 . . . . 34.77 111.001 -179.975 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.75 -48.19 82.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 33.88 111.114 -179.874 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -63.28 -44.26 95.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.258 -0.428 . . . . 30.08 110.802 -179.987 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 65.8 mtt-85 -62.12 -37.06 83.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.425 . . . . 30.22 110.801 179.944 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . 0.726 HD22 HG23 ' D' ' 73' ' ' THR . 36.2 mt -62.79 -53.72 50.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.005 -0.543 . . . . 19.83 110.749 179.911 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -50.78 -40.32 54.88 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.896 -0.593 . . . . 17.5 111.045 -179.962 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 60' ' ' ASP . . . . . 0.405 ' HA ' ' OG ' ' B' ' 63' ' ' SER . 22.7 t0 -66.04 -34.56 78.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 21.39 110.642 179.953 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.75 -42.63 85.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 14.89 110.448 179.615 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . 0.961 ' O ' HG23 ' B' ' 66' ' ' VAL . 2.5 mm-40 -71.92 -48.36 46.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.943 -0.571 . . . . 14.2 111.262 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 63' ' ' SER . . . . . 0.405 ' HB2' ' HG3' ' A' ' 67' ' ' LYS . 1.8 p -51.76 -52.26 50.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.442 -0.345 . . . . 14.56 111.634 -179.343 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -57.21 -58.51 7.91 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.488 -0.324 . . . . 15.02 111.773 -179.169 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . 0.528 HD21 ' HA ' ' B' ' 62' ' ' GLN . 1.6 pp -52.22 -32.84 38.48 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.869 -0.332 . . . . 5.88 110.821 -179.624 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . 0.961 HG23 ' O ' ' B' ' 62' ' ' GLN . 92.9 t -61.13 -52.3 63.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.865 0.364 . . . . 8.22 111.029 179.805 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . 0.429 ' O ' ' HB2' ' B' ' 71' ' ' PHE . 7.8 ttmt -52.45 -35.76 53.14 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.206 -0.452 . . . . 19.83 110.886 -179.79 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.53 -38.43 87.14 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.25 -0.432 . . . . 16.9 111.493 -179.702 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 69' ' ' MET . . . . . 0.716 ' HE1' HG13 ' B' ' 66' ' ' VAL . 2.5 ptt? -68.38 -39.07 81.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.938 0.399 . . . . 12.26 111.069 -179.668 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.773 HG13 ' OH ' ' C' ' 78' ' ' TYR . 61.6 t -87.07 -25.13 6.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.109 -0.496 . . . . 14.94 111.547 -179.466 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.429 ' HB2' ' O ' ' B' ' 67' ' ' LYS . 10.8 t80 -65.18 -36.89 85.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.812 0.339 . . . . 23.07 110.448 179.712 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -78.42 -44.2 25.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 27.4 110.534 179.586 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 73' ' ' THR . . . . . 0.776 HG23 HD22 ' D' ' 58' ' ' LEU . 53.5 m -57.91 -43.09 85.97 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.231 -0.441 . . . . 19.88 110.675 179.738 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 74' ' ' LEU . . . . . 0.568 HD13 ' HB2' ' A' ' 62' ' ' GLN . 50.8 mt -64.45 -42.86 95.71 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.185 -0.462 . . . . 22.93 110.87 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -50.17 -40.61 47.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.446 . . . . 29.67 110.673 179.869 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -80.02 -31.17 39.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.938 -0.574 . . . . 31.12 110.68 179.759 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.62 HD21 HD12 ' D' ' 58' ' ' LEU . 23.9 mt -61.0 -38.06 84.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.014 -0.539 . . . . 29.81 110.839 179.901 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 78' ' ' TYR . . . . . 0.523 ' CB ' ' HB1' ' A' ' 55' ' ' ALA . 4.2 m-85 -84.65 -36.82 21.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 33.82 110.774 179.928 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 2.4 mmmt -63.56 -22.27 66.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.095 -0.502 . . . . 38.51 111.137 -179.984 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.9 -23.37 60.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.366 -0.379 . . . . 41.6 111.239 -179.821 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . 0.422 HG23 ' O ' ' B' ' 81' ' ' THR . 8.6 t -126.34 61.49 1.29 Allowed 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 116.286 -0.415 . . . . 41.29 110.881 179.975 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 4.5 t . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.212 -0.899 . . . . 49.23 110.857 179.994 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' C' C ' 52' ' ' ARG . . . . . . . . . . . . . 29.1 ttm-85 . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.818 0.342 . . . . 45.96 111.127 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' C' C ' 53' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -165.71 102.49 0.69 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.435 . . . . 40.36 110.96 180.0 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -63.58 -31.06 72.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 42.46 110.71 179.874 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 55' ' ' ALA . . . . . 0.456 ' HB1' ' CB ' ' D' ' 78' ' ' TYR . . . -62.02 -35.68 79.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.319 -0.401 . . . . 34.87 110.444 179.665 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -71.12 -54.81 9.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.056 -0.52 . . . . 29.96 110.204 179.343 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 57' ' ' ARG . . . . . . . . . . . . . 1.7 mtp85 -60.68 -40.48 92.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.869 -0.605 . . . . 37.01 110.26 179.311 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 58' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' C' ' 58' ' ' LEU . 14.7 mt -61.65 -52.99 62.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.86 -0.609 . . . . 31.1 110.783 179.589 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -49.28 -29.9 6.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.1 -0.5 . . . . 22.01 111.084 -179.935 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -81.57 -28.77 33.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 19.52 110.637 179.731 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -77.98 -47.58 18.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.08 -0.509 . . . . 20.14 110.682 179.826 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' C' C ' 62' ' ' GLN . . . . . 0.598 ' HB2' HD13 ' D' ' 74' ' ' LEU . 51.0 mm-40 -59.48 -45.47 91.58 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.885 -0.598 . . . . 21.42 110.781 179.972 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' C' C ' 63' ' ' SER . . . . . . . . . . . . . 81.9 p -62.32 -35.71 79.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 18.3 110.698 179.85 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -58.43 -38.54 77.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 24.01 110.718 179.914 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 65' ' ' LEU . . . . . . . . . . . . . 1.9 mt -63.94 -45.0 91.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 20.2 110.676 179.887 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 66' ' ' VAL . . . . . . . . . . . . . 42.3 t -64.36 -40.59 89.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.087 -0.506 . . . . 14.0 110.906 179.938 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 67' ' ' LYS . . . . . 0.419 ' HG3' ' HB2' ' D' ' 63' ' ' SER . 34.7 tttt -59.73 -51.23 70.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.098 -0.501 . . . . 7.66 110.661 179.865 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' C' C ' 68' ' ' LYS . . . . . . . . . . . . . 2.0 ttmt -55.62 -38.16 69.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.266 -0.424 . . . . 16.78 110.556 179.76 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 69' ' ' MET . . . . . . . . . . . . . 46.9 ttp -63.22 -39.54 94.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.063 -0.517 . . . . 8.86 110.567 179.702 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 24.7 t -72.99 -45.73 53.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 9.13 110.661 179.794 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 71' ' ' PHE . . . . . 0.445 ' O ' ' HB2' ' C' ' 75' ' ' LYS . 22.0 t80 -51.37 -72.98 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.95 -0.389 . . . . 19.3 109.95 179.397 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -44.41 -34.57 2.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 14.99 111.063 179.409 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 73' ' ' THR . . . . . . . . . . . . . 18.0 m -68.21 -73.29 0.15 Allowed 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 116.248 -0.433 . . . . 8.52 110.133 179.613 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 74' ' ' LEU . . . . . 0.691 HD12 ' HB2' ' D' ' 62' ' ' GLN . 20.4 mt -51.24 -32.0 22.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.036 -0.529 . . . . 13.46 111.089 179.864 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' C' C ' 75' ' ' LYS . . . . . 0.445 ' HB2' ' O ' ' C' ' 71' ' ' PHE . 2.2 ttmt -54.73 -61.89 2.02 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.286 -0.416 . . . . 17.44 110.599 179.766 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' C' C ' 76' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.22 -32.77 72.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 18.98 110.783 179.757 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' C' C ' 77' ' ' LEU . . . . . 0.623 HD12 ' C ' ' C' ' 77' ' ' LEU . 0.6 OUTLIER -66.69 -65.82 0.63 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.074 -0.512 . . . . 21.16 110.465 179.875 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' C' C ' 78' ' ' TYR . . . . . 0.773 ' OH ' HG13 ' B' ' 70' ' ' VAL . 21.1 m-30 -54.42 -26.67 32.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.845 0.355 . . . . 27.96 110.607 179.589 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 3.5 mttt -66.63 -41.03 88.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.473 . . . . 25.43 110.904 -179.984 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 5.1 ttpt -68.24 -33.73 74.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.426 . . . . 30.63 110.831 -179.926 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 81' ' ' THR . . . . . 0.408 ' OG1' ' HA ' ' C' ' 78' ' ' TYR . 0.1 OUTLIER -58.35 -47.29 84.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.142 -0.481 . . . . 33.67 110.923 179.806 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' C' C ' 82' ' ' THR . . . . . . . . . . . . . 1.9 p . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.2 -0.905 . . . . 40.0 110.902 -179.894 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' D' D ' 52' ' ' ARG . . . . . . . . . . . . . 16.3 mmt180 . . . . . 0 N--CA 1.487 1.404 0 CA-C-O 120.837 0.351 . . . . 40.36 111.228 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' D' D ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -95.2 24.03 5.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 36.6 110.961 179.917 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -64.36 -25.05 67.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.26 -0.427 . . . . 31.71 110.988 -179.9 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' D' D ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.62 -48.24 81.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 28.35 111.209 -179.944 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -63.19 -44.2 96.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.295 -0.411 . . . . 32.16 110.911 179.957 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' D' D ' 57' ' ' ARG . . . . . . . . . . . . . 66.4 mtt-85 -62.1 -37.03 83.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 24.23 110.793 179.878 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' D' D ' 58' ' ' LEU . . . . . 0.776 HD22 HG23 ' B' ' 73' ' ' THR . 36.3 mt -62.96 -53.48 53.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.055 -0.521 . . . . 21.21 110.773 179.978 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' D' D ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.15 -40.07 57.74 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.976 -0.556 . . . . 20.32 111.004 -179.953 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' D' D ' 60' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -66.15 -34.58 78.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.157 -0.474 . . . . 22.46 110.589 179.843 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' D' D ' 61' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.7 -42.58 86.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 16.16 110.552 179.667 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' D' D ' 62' ' ' GLN . . . . . 0.983 ' O ' HG23 ' D' ' 66' ' ' VAL . 2.5 mm-40 -72.05 -48.34 45.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.89 -0.595 . . . . 10.04 111.302 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' D' D ' 63' ' ' SER . . . . . 0.419 ' HB2' ' HG3' ' C' ' 67' ' ' LYS . 1.8 p -51.68 -52.11 50.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.378 -0.374 . . . . 15.17 111.569 -179.294 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' D' D ' 64' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -57.3 -58.4 8.39 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 111.841 0.312 . . . . 13.46 111.841 -179.25 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' D' D ' 65' ' ' LEU . . . . . 0.528 HD21 ' HA ' ' D' ' 62' ' ' GLN . 1.6 pp -52.32 -32.73 39.36 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.856 -0.338 . . . . 8.66 110.919 -179.586 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' D' D ' 66' ' ' VAL . . . . . 0.983 HG23 ' O ' ' D' ' 62' ' ' GLN . 93.7 t -61.15 -52.35 62.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.433 -0.348 . . . . 6.7 111.006 179.736 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' D' D ' 67' ' ' LYS . . . . . 0.427 ' O ' ' HB2' ' D' ' 71' ' ' PHE . 7.8 ttmt -52.38 -35.77 52.27 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.294 -0.412 . . . . 6.57 110.864 -179.82 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' D' D ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.53 -38.76 87.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.248 -0.433 . . . . 12.14 111.431 -179.688 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' D' D ' 69' ' ' MET . . . . . 0.685 ' HE1' HG13 ' D' ' 66' ' ' VAL . 2.5 ptt? -68.25 -39.04 82.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.878 0.37 . . . . 11.57 110.99 -179.677 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' D' D ' 70' ' ' VAL . . . . . 0.789 HG13 ' OH ' ' A' ' 78' ' ' TYR . 62.1 t -87.06 -25.04 6.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.175 -0.466 . . . . 12.42 111.661 -179.525 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' D' D ' 71' ' ' PHE . . . . . 0.427 ' HB2' ' O ' ' D' ' 67' ' ' LYS . 10.8 t80 -65.27 -36.94 85.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.836 0.35 . . . . 18.01 110.441 179.669 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -78.26 -44.32 25.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.115 -0.493 . . . . 25.35 110.525 179.575 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' D' D ' 73' ' ' THR . . . . . 0.726 HG23 HD22 ' B' ' 58' ' ' LEU . 53.0 m -57.77 -43.04 85.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.28 -0.418 . . . . 25.05 110.718 179.784 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' D' D ' 74' ' ' LEU . . . . . 0.598 HD13 ' HB2' ' C' ' 62' ' ' GLN . 51.5 mt -64.62 -43.0 95.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.107 -0.497 . . . . 25.43 110.771 -179.966 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' D' D ' 75' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -50.01 -40.7 45.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.277 -0.419 . . . . 25.86 110.694 179.865 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' D' D ' 76' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -79.99 -31.27 39.78 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.985 -0.552 . . . . 27.85 110.608 179.787 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' D' D ' 77' ' ' LEU . . . . . 0.599 HD21 HD12 ' B' ' 58' ' ' LEU . 23.8 mt -60.82 -38.24 84.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.044 -0.525 . . . . 28.56 110.824 179.922 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' D' D ' 78' ' ' TYR . . . . . 0.456 ' CB ' ' HB1' ' C' ' 55' ' ' ALA . 4.4 m-85 -84.34 -37.07 22.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 32.23 110.822 179.828 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' D' D ' 79' ' ' LYS . . . . . . . . . . . . . 2.4 mmmt -63.3 -22.26 66.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.073 -0.512 . . . . 44.11 111.142 179.998 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' D' D ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.97 -23.53 60.67 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.416 -0.356 . . . . 39.66 111.209 -179.812 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' D' D ' 81' ' ' THR . . . . . 0.422 HG23 ' O ' ' D' ' 81' ' ' THR . 8.5 t -125.94 61.39 1.26 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.354 -0.384 . . . . 39.88 110.943 179.94 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' D' D ' 82' ' ' THR . . . . . . . . . . . . . 4.4 t . . . . . 0 C--O 1.247 0.969 0 CA-C-O 118.219 -0.896 . . . . 47.65 110.878 -179.998 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.867 0.365 . . . . 45.05 111.099 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -122.93 77.1 1.42 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.449 . . . . 40.56 111.021 -179.909 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 46.5 p-10 -53.6 -30.39 42.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 38.51 110.711 179.806 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.1 -41.64 97.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.397 -0.365 . . . . 34.94 110.519 179.665 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 50.0 tt0 -66.3 -50.33 64.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.102 -0.499 . . . . 30.15 110.338 179.504 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.442 ' NH1' ' HB3' ' A' ' 57' ' ' ARG . 3.4 mtm105 -61.5 -47.3 86.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.891 -0.595 . . . . 37.19 110.089 179.265 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.8 mt -51.79 -51.59 55.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.688 -0.687 . . . . 26.33 110.697 179.586 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -50.16 -39.03 42.25 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.053 -0.521 . . . . 20.37 110.892 179.783 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -69.64 -27.25 64.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.963 -0.562 . . . . 19.92 110.543 179.657 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -77.42 -50.51 12.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.07 -0.513 . . . . 22.14 110.605 179.831 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.704 ' HA ' HD12 ' A' ' 65' ' ' LEU . 1.0 OUTLIER -60.4 -43.03 97.09 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.965 -0.561 . . . . 25.03 110.537 179.714 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 66.8 p -60.86 -37.4 81.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.117 -0.492 . . . . 17.85 110.653 179.627 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -58.18 -42.65 86.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 25.23 110.613 179.749 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.704 HD12 ' HA ' ' A' ' 62' ' ' GLN . 6.9 mt -59.91 -39.68 86.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 17.98 110.541 179.756 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 20.0 t -66.28 -43.83 91.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.086 -0.506 . . . . 14.99 110.932 179.657 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.404 ' HG3' ' HB2' ' B' ' 63' ' ' SER . 43.9 tttt -58.12 -44.64 87.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.962 -0.563 . . . . 10.73 110.66 179.931 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 4.1 mtpt -59.69 -38.46 81.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.944 0.402 . . . . 12.28 110.714 179.822 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 47.4 ttp -66.83 -44.61 80.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.094 -0.503 . . . . 7.83 110.698 179.747 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 71.1 t -71.44 -41.24 73.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.052 -0.522 . . . . 9.29 110.937 179.983 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.489 ' CZ ' ' HD3' ' A' ' 75' ' ' LYS . 39.8 t80 -56.35 -58.29 8.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.792 0.33 . . . . 12.2 110.234 179.817 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -54.02 -44.4 70.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 11.39 110.462 179.677 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 19.9 m -64.01 -69.74 0.26 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.227 -0.442 . . . . 12.06 110.346 179.572 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.76 HD12 ' HB2' ' B' ' 62' ' ' GLN . 10.7 mt -50.69 -38.15 45.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.103 -0.499 . . . . 13.85 111.111 -179.952 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.489 ' HD3' ' CZ ' ' A' ' 71' ' ' PHE . 6.8 ttpp -53.04 -69.51 0.11 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.064 0.459 . . . . 13.81 110.385 179.63 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -63.57 -28.58 70.03 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.637 -0.71 . . . . 17.34 111.135 179.965 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.564 ' O ' HD12 ' A' ' 77' ' ' LEU . 1.9 tp -65.48 -56.22 13.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.488 -0.324 . . . . 21.45 110.91 -179.905 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.662 ' OH ' HG13 ' D' ' 70' ' ' VAL . 23.2 m-30 -63.18 -23.85 67.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.325 -0.398 . . . . 24.79 110.899 179.908 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.37 -29.43 62.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.349 -0.387 . . . . 26.73 110.851 179.944 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 4.1 mttt -78.69 -25.75 44.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 27.66 111.089 -179.802 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -65.21 -46.46 80.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.326 -0.397 . . . . 33.35 111.013 -179.994 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.4 p . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.274 -0.87 . . . . 36.38 110.91 179.969 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.817 0.341 . . . . 44.26 111.201 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -122.82 22.9 9.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 39.11 111.047 179.982 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 14.1 p-10 -63.04 -26.51 68.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.891 0.377 . . . . 33.93 110.776 179.811 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -54.0 -45.78 71.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.948 -0.569 . . . . 30.53 110.954 179.879 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.01 -51.0 52.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.026 -0.534 . . . . 30.07 110.579 179.782 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 51.1 mtp180 -54.94 -34.48 63.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 27.68 110.552 179.738 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . 0.985 HD22 HG23 ' D' ' 73' ' ' THR . 6.4 mt -66.47 -60.72 2.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.074 -0.512 . . . . 22.66 110.586 179.753 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -47.28 -33.34 5.51 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.965 -0.561 . . . . 19.54 110.873 179.792 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -64.44 -42.14 96.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.088 -0.505 . . . . 18.9 110.35 179.483 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -67.55 -37.23 82.39 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.985 -0.552 . . . . 11.43 110.359 179.509 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . 0.76 ' HB2' HD12 ' A' ' 74' ' ' LEU . 5.6 mm-40 -67.67 -43.07 81.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.915 -0.584 . . . . 11.16 110.382 179.505 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 63' ' ' SER . . . . . 0.404 ' HB2' ' HG3' ' A' ' 67' ' ' LYS . 0.1 OUTLIER -55.58 -64.09 0.96 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.949 -0.569 . . . . 16.71 110.884 179.972 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -49.44 -30.24 7.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.102 -0.499 . . . . 18.3 110.979 -179.898 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.11 -38.99 72.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 10.2 110.842 179.897 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . 0.746 HG23 ' O ' ' B' ' 62' ' ' GLN . 2.2 t -68.68 -39.33 80.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.139 -0.482 . . . . 8.24 110.988 -179.882 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . 0.417 ' O ' ' N ' ' B' ' 71' ' ' PHE . 13.9 ttpt -57.24 -58.81 6.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.049 -0.523 . . . . 14.38 110.981 -179.898 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -52.37 -33.34 42.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.36 -0.382 . . . . 10.07 110.731 179.962 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 69' ' ' MET . . . . . 0.468 ' HE2' HG13 ' B' ' 66' ' ' VAL . 54.7 ttp -67.8 -54.16 21.35 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.251 -0.431 . . . . 10.96 110.935 179.953 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.741 HG13 ' OH ' ' C' ' 78' ' ' TYR . 35.6 t -75.37 -20.56 16.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.276 -0.42 . . . . 10.93 111.39 -179.859 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.417 ' N ' ' O ' ' B' ' 67' ' ' LYS . 17.6 t80 -61.99 -45.95 91.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.921 0.391 . . . . 18.17 110.478 179.76 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -69.49 -45.5 68.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.028 -0.533 . . . . 24.32 110.618 179.709 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 73' ' ' THR . . . . . 0.961 HG23 HD22 ' D' ' 58' ' ' LEU . 52.5 m -54.57 -48.95 71.47 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.197 -0.456 . . . . 22.98 110.792 179.848 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 74' ' ' LEU . . . . . 0.455 ' HA ' HD12 ' B' ' 77' ' ' LEU . 61.7 mt -59.48 -42.13 91.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.44 . . . . 27.02 110.86 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 3.1 tttp -50.18 -44.49 52.88 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.163 -0.471 . . . . 30.77 110.818 179.946 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 76' ' ' ASP . . . . . 0.404 ' HA ' ' CG ' ' B' ' 79' ' ' LYS . 0.2 OUTLIER -76.45 -26.31 55.29 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.963 -0.562 . . . . 28.41 110.749 179.869 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.504 HD11 ' CG ' ' C' ' 78' ' ' TYR . 19.6 mt -67.42 -34.92 78.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 27.86 110.837 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -77.39 -58.71 3.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 33.92 110.867 -179.972 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 79' ' ' LYS . . . . . 0.404 ' CG ' ' HA ' ' B' ' 76' ' ' ASP . 0.0 OUTLIER -53.43 -29.55 35.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.33 -0.396 . . . . 41.66 110.741 179.924 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.98 -23.37 45.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 41.47 110.955 179.868 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . 0.431 HG23 ' O ' ' B' ' 81' ' ' THR . 3.3 t -152.35 94.92 1.98 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.247 -0.433 . . . . 40.36 110.844 179.938 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.281 -0.866 . . . . 48.75 110.911 179.972 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 120.864 0.364 . . . . 47.39 111.165 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 53' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -122.91 77.03 1.41 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.072 -0.513 . . . . 35.82 111.012 -179.86 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 46.6 p-10 -53.6 -30.38 42.21 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.26 -0.427 . . . . 38.33 110.836 179.798 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.0 -41.66 96.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.925 0.393 . . . . 30.56 110.533 179.608 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 49.9 tt0 -66.34 -50.32 63.97 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.104 -0.498 . . . . 26.96 110.347 179.454 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 57' ' ' ARG . . . . . 0.437 ' HB3' ' NH1' ' C' ' 57' ' ' ARG . 3.5 mtm105 -61.56 -47.11 86.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.985 -0.552 . . . . 27.71 110.101 179.266 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 6.8 mt -51.84 -51.74 54.43 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.721 -0.672 . . . . 29.4 110.585 179.565 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -50.11 -38.94 41.27 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.115 -0.493 . . . . 24.56 110.833 179.892 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -69.77 -27.37 64.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.99 -0.55 . . . . 27.21 110.477 179.702 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -77.19 -50.59 12.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.029 -0.532 . . . . 27.01 110.642 179.764 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 62' ' ' GLN . . . . . 0.689 ' HA ' HD12 ' C' ' 65' ' ' LEU . 1.0 OUTLIER -60.25 -43.19 96.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.923 -0.58 . . . . 19.09 110.62 179.671 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' C' C ' 63' ' ' SER . . . . . . . . . . . . . 64.3 p -60.77 -37.38 81.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.027 -0.533 . . . . 16.14 110.536 179.705 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -58.19 -42.83 86.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 15.79 110.602 179.761 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 65' ' ' LEU . . . . . 0.689 HD12 ' HA ' ' C' ' 62' ' ' GLN . 7.0 mt -59.78 -39.76 86.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 17.74 110.503 179.72 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' C' C ' 66' ' ' VAL . . . . . . . . . . . . . 19.5 t -66.27 -43.71 91.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 9.93 110.793 179.611 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 67' ' ' LYS . . . . . 0.444 ' HG3' ' CB ' ' D' ' 63' ' ' SER . 42.2 tttt -57.71 -45.23 86.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.078 -0.51 . . . . 16.97 110.681 179.925 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' C' C ' 68' ' ' LYS . . . . . . . . . . . . . 4.1 mtpt -59.7 -38.26 81.11 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.221 -0.445 . . . . 22.42 110.682 -179.959 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 69' ' ' MET . . . . . . . . . . . . . 47.6 ttp -66.97 -44.53 80.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.476 . . . . 8.85 110.719 179.763 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 68.1 t -71.38 -41.02 73.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.069 -0.514 . . . . 6.41 111.121 179.919 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 71' ' ' PHE . . . . . 0.488 ' CZ ' ' HD3' ' C' ' 75' ' ' LYS . 40.1 t80 -56.72 -58.35 8.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.755 0.312 . . . . 17.41 110.24 179.686 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -53.86 -44.34 70.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 11.5 110.525 179.648 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 73' ' ' THR . . . . . . . . . . . . . 19.9 m -64.23 -69.67 0.27 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.136 -0.484 . . . . 11.54 110.312 179.605 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 74' ' ' LEU . . . . . 0.73 HD12 ' HB2' ' D' ' 62' ' ' GLN . 10.8 mt -50.59 -38.4 45.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 18.47 111.068 -179.956 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' C' C ' 75' ' ' LYS . . . . . 0.488 ' HD3' ' CZ ' ' C' ' 71' ' ' PHE . 6.9 ttpp -52.83 -69.7 0.11 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.104 0.478 . . . . 20.05 110.383 179.603 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' C' C ' 76' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -63.51 -28.52 70.01 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.685 -0.689 . . . . 16.32 111.171 -179.988 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 77' ' ' LEU . . . . . 0.551 ' O ' HD12 ' C' ' 77' ' ' LEU . 2.0 tp -65.66 -56.31 12.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.418 -0.356 . . . . 19.41 110.788 -179.822 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' C' C ' 78' ' ' TYR . . . . . 0.741 ' OH ' HG13 ' B' ' 70' ' ' VAL . 23.0 m-30 -63.07 -23.81 67.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.366 -0.379 . . . . 26.3 110.974 179.853 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.33 -29.61 62.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.315 -0.402 . . . . 27.29 110.781 179.922 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 4.3 mttt -78.44 -25.69 46.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.346 -0.388 . . . . 30.47 111.16 -179.817 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -65.33 -46.28 80.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.271 -0.422 . . . . 34.34 110.936 -179.85 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' C' C ' 82' ' ' THR . . . . . 0.408 ' H ' HG23 ' C' ' 82' ' ' THR . 3.6 p . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.271 -0.871 . . . . 39.54 110.963 -179.926 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' D' D ' 52' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? . . . . . 0 N--CA 1.487 1.401 0 CA-C-O 120.853 0.358 . . . . 41.93 111.092 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' D' D ' 53' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -122.91 22.86 9.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 40.33 111.093 -179.976 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 14.0 p-10 -63.11 -26.48 68.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.954 0.406 . . . . 33.5 110.753 179.833 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' D' D ' 55' ' ' ALA . . . . . . . . . . . . . . . -54.15 -45.65 72.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.065 -0.516 . . . . 32.46 110.892 179.841 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.94 -50.9 53.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.088 -0.505 . . . . 30.09 110.681 179.738 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' D' D ' 57' ' ' ARG . . . . . . . . . . . . . 50.9 mtp180 -55.16 -34.44 63.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.063 -0.517 . . . . 23.27 110.564 179.756 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' D' D ' 58' ' ' LEU . . . . . 0.961 HD22 HG23 ' B' ' 73' ' ' THR . 6.3 mt -66.45 -60.54 2.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.971 -0.559 . . . . 18.61 110.645 179.693 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' D' D ' 59' ' ' ALA . . . . . . . . . . . . . . . -47.45 -33.37 6.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.878 -0.601 . . . . 18.56 110.938 179.829 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' D' D ' 60' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -64.4 -41.87 96.42 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.121 -0.491 . . . . 24.69 110.311 179.454 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' D' D ' 61' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -67.8 -37.31 81.84 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.06 -0.518 . . . . 17.19 110.377 179.44 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' D' D ' 62' ' ' GLN . . . . . 0.767 ' O ' HG23 ' D' ' 66' ' ' VAL . 5.6 mm-40 -67.66 -42.58 81.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.958 -0.564 . . . . 15.18 110.372 179.496 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' D' D ' 63' ' ' SER . . . . . 0.444 ' CB ' ' HG3' ' C' ' 67' ' ' LYS . 0.1 OUTLIER -56.09 -64.4 0.87 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.878 -0.601 . . . . 12.63 110.956 179.84 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' D' D ' 64' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -49.09 -30.34 6.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 7.56 110.964 -179.997 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' D' D ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.01 -39.42 72.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.488 . . . . 5.49 110.811 179.863 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' D' D ' 66' ' ' VAL . . . . . 0.767 HG23 ' O ' ' D' ' 62' ' ' GLN . 2.2 t -68.43 -38.79 79.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.249 -0.432 . . . . 6.09 111.104 -179.943 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' D' D ' 67' ' ' LYS . . . . . 0.4 ' O ' ' N ' ' D' ' 71' ' ' PHE . 14.0 ttpt -57.75 -58.81 6.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.175 -0.466 . . . . 15.97 110.922 -179.86 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' D' D ' 68' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -52.15 -33.47 40.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.45 -0.341 . . . . 18.8 110.743 179.95 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' D' D ' 69' ' ' MET . . . . . 0.497 ' HE2' HG13 ' D' ' 66' ' ' VAL . 54.8 ttp -67.69 -54.35 20.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 13.1 110.991 179.959 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' D' D ' 70' ' ' VAL . . . . . 0.662 HG13 ' OH ' ' A' ' 78' ' ' TYR . 37.3 t -75.03 -20.79 16.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 15.5 111.401 -179.922 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' D' D ' 71' ' ' PHE . . . . . 0.4 ' N ' ' O ' ' D' ' 67' ' ' LYS . 17.5 t80 -61.85 -46.0 91.34 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.918 0.389 . . . . 25.02 110.512 179.753 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -69.4 -45.56 68.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.056 -0.52 . . . . 29.03 110.558 179.735 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' D' D ' 73' ' ' THR . . . . . 0.985 HG23 HD22 ' B' ' 58' ' ' LEU . 53.3 m -54.58 -49.1 71.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 22.1 110.778 179.875 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' D' D ' 74' ' ' LEU . . . . . 0.457 ' HA ' HD12 ' D' ' 77' ' ' LEU . 60.8 mt -59.42 -41.99 90.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 20.99 110.857 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' D' D ' 75' ' ' LYS . . . . . . . . . . . . . 3.0 tttp -50.32 -44.37 54.18 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.23 -0.441 . . . . 26.69 110.807 179.894 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' D' D ' 76' ' ' ASP . . . . . 0.405 ' HA ' ' CG ' ' D' ' 79' ' ' LYS . 0.2 OUTLIER -76.53 -26.27 55.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.057 -0.519 . . . . 30.95 110.684 179.879 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' D' D ' 77' ' ' LEU . . . . . 0.457 HD12 ' HA ' ' D' ' 74' ' ' LEU . 19.6 mt -67.43 -34.78 77.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.064 -0.517 . . . . 30.09 110.93 179.978 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' D' D ' 78' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -77.68 -58.17 3.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 31.95 111.012 -179.996 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' D' D ' 79' ' ' LYS . . . . . 0.405 ' CG ' ' HA ' ' D' ' 76' ' ' ASP . 0.0 OUTLIER -53.93 -29.27 41.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.326 -0.397 . . . . 40.78 110.726 179.927 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' D' D ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.26 -23.25 46.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.093 -0.503 . . . . 39.69 110.882 179.8 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' D' D ' 81' ' ' THR . . . . . 0.427 HG23 ' O ' ' D' ' 81' ' ' THR . 3.3 t -152.37 94.83 1.96 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.324 -0.398 . . . . 39.57 110.934 179.961 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' D' D ' 82' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.23 -0.891 . . . . 46.2 110.878 -179.986 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.727 0.298 . . . . 43.14 111.189 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.425 ' OD1' ' HB3' ' A' ' 55' ' ' ALA . 17.7 p30 -161.09 -177.87 6.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 38.69 111.096 -179.951 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -73.44 -28.63 62.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 40.68 111.016 179.947 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.425 ' HB3' ' OD1' ' A' ' 53' ' ' ASN . . . -63.04 -39.47 94.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.897 0.38 . . . . 34.41 110.583 179.633 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.28 -55.98 25.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.077 -0.51 . . . . 29.68 110.38 179.431 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 54.7 ttp180 -64.62 -49.07 72.51 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.866 -0.607 . . . . 36.68 110.257 179.451 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.631 ' C ' HD13 ' A' ' 58' ' ' LEU . 1.3 tm? -54.78 -51.24 66.36 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.815 -0.629 . . . . 31.28 110.298 179.435 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.522 ' N ' HD13 ' A' ' 58' ' ' LEU . . . -58.25 -44.03 88.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.989 -0.55 . . . . 24.31 110.862 179.541 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -52.18 -37.35 54.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.048 -0.524 . . . . 22.74 110.763 179.897 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -72.37 -41.5 66.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 22.51 110.847 179.929 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.573 ' O ' HG23 ' A' ' 66' ' ' VAL . 69.9 mm-40 -63.21 -39.83 95.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.116 -0.493 . . . . 19.81 110.619 179.756 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 14.9 p -71.08 -33.0 69.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.087 -0.506 . . . . 18.32 110.628 179.772 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -69.65 -34.14 73.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 23.78 110.699 179.811 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.2 mt -70.3 -40.53 74.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.055 -0.52 . . . . 19.82 110.768 179.884 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.573 HG23 ' O ' ' A' ' 62' ' ' GLN . 45.4 t -69.2 -40.58 80.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.135 -0.484 . . . . 12.99 110.874 179.745 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 24.1 tttt -64.19 -43.71 94.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.996 -0.547 . . . . 8.93 110.719 179.844 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 21.3 mtpt -60.82 -38.35 85.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 19.09 110.558 179.682 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 20.7 ttp -65.59 -43.44 89.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.086 -0.506 . . . . 9.68 110.686 179.815 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 78.6 t -71.28 -42.71 74.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.109 -0.496 . . . . 8.91 110.969 179.942 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.436 ' CZ ' ' HD3' ' A' ' 75' ' ' LYS . 10.7 t80 -51.86 -60.48 3.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.819 0.342 . . . . 20.25 110.505 179.738 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -53.35 -47.73 69.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 13.86 110.665 179.795 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.2 m -60.19 -69.86 0.2 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.362 -0.381 . . . . 8.37 110.301 179.65 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.509 HD12 ' HB2' ' B' ' 62' ' ' GLN . 15.2 mt -51.06 -37.2 44.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.082 -0.508 . . . . 14.98 111.112 -179.945 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.436 ' HD3' ' CZ ' ' A' ' 71' ' ' PHE . 14.7 ttpt -55.67 -67.41 0.29 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.127 0.489 . . . . 18.96 110.135 179.467 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.13 -30.34 71.51 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.561 -0.745 . . . . 19.15 110.848 179.695 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.602 ' O ' HD12 ' A' ' 77' ' ' LEU . 1.2 tp -65.25 -56.04 14.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.374 -0.375 . . . . 21.03 110.539 179.947 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 22.5 m-30 -62.17 -26.37 68.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.913 0.387 . . . . 28.17 110.417 179.454 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.15 -30.08 68.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.009 -0.541 . . . . 26.41 110.708 179.821 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.7 tttt -59.96 -37.97 81.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 31.68 110.732 179.915 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 32.3 p -64.78 -56.51 13.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.975 -0.557 . . . . 34.49 110.88 179.923 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 29.5 p . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.274 -0.87 . . . . 39.86 110.97 179.996 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 16.9 mtm-85 . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.803 0.335 . . . . 46.0 111.227 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' B' B ' 53' ' ' ASN . . . . . 0.807 ' ND2' ' HB3' ' B' ' 55' ' ' ALA . 0.3 OUTLIER 179.15 173.36 0.79 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 36.72 110.961 179.949 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -55.19 -27.59 46.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 30.86 110.921 -179.975 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 55' ' ' ALA . . . . . 0.807 ' HB3' ' ND2' ' B' ' 53' ' ' ASN . . . -51.09 -40.26 57.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.299 -0.41 . . . . 28.4 110.872 179.839 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -72.69 -49.72 29.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.014 -0.539 . . . . 30.67 110.578 179.712 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 31.5 mtt85 -56.15 -36.36 68.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.117 -0.492 . . . . 22.82 110.531 179.803 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . 0.782 HD22 HG23 ' D' ' 73' ' ' THR . 51.7 mt -66.68 -62.44 1.45 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.028 -0.533 . . . . 19.68 110.626 179.682 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -47.92 -29.36 3.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.78 -0.645 . . . . 19.47 111.054 179.896 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 62.8 t0 -79.24 -33.05 43.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 23.02 110.571 179.781 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . 0.402 ' O ' ' HG2' ' B' ' 64' ' ' GLU . 0.2 OUTLIER -70.02 -41.0 74.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 17.39 110.212 179.448 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . 0.509 ' HB2' HD12 ' A' ' 74' ' ' LEU . 2.0 mm-40 -73.67 -47.64 38.27 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.819 -0.628 . . . . 10.31 110.485 179.736 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 48.9 p -52.11 -55.65 19.51 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.316 -0.402 . . . . 14.24 110.549 179.91 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . 0.437 ' HG3' ' N ' ' B' ' 65' ' ' LEU . 10.3 pt-20 -52.71 -36.81 58.02 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 116.226 -0.443 . . . . 10.28 110.201 179.383 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . 0.437 ' N ' ' HG3' ' B' ' 64' ' ' GLU . 0.2 OUTLIER -62.74 -37.8 88.02 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.826 -0.624 . . . . 7.77 110.489 179.412 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . 0.643 HG13 ' CE ' ' B' ' 69' ' ' MET . 23.3 t -68.52 -36.75 76.05 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.145 -0.479 . . . . 6.53 111.446 -179.958 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . 0.432 ' O ' ' CB ' ' B' ' 71' ' ' PHE . 3.4 tttm -68.97 -33.91 74.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.329 -0.396 . . . . 6.25 110.905 -179.796 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 9.9 mttp -75.4 -38.68 59.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.256 -0.429 . . . . 14.97 110.857 179.981 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 69' ' ' MET . . . . . 0.643 ' CE ' HG13 ' B' ' 66' ' ' VAL . 18.5 ptt? -76.2 -33.88 59.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.301 -0.409 . . . . 12.07 110.901 179.889 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.619 HG23 ' O ' ' B' ' 66' ' ' VAL . 68.7 t -84.48 -25.69 7.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 13.36 111.317 -179.798 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.432 ' CB ' ' O ' ' B' ' 67' ' ' LYS . 21.2 t80 -71.67 -34.58 69.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.888 0.375 . . . . 20.04 110.296 179.536 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.35 -46.66 47.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.987 -0.551 . . . . 26.31 110.555 179.621 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 73' ' ' THR . . . . . 0.736 HG23 HD22 ' D' ' 58' ' ' LEU . 95.1 m -52.65 -52.21 56.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 25.05 110.6 179.772 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 74' ' ' LEU . . . . . 0.63 HD23 HD12 ' B' ' 77' ' ' LEU . 48.7 mt -56.73 -42.52 79.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 24.0 110.645 179.728 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 3.4 tptp -52.64 -44.03 65.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.234 -0.439 . . . . 25.09 110.35 179.549 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -74.37 -29.47 61.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.825 -0.625 . . . . 28.39 110.407 179.454 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.63 HD12 HD23 ' B' ' 74' ' ' LEU . 27.5 mt -63.64 -52.0 62.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.883 -0.599 . . . . 29.77 110.651 179.845 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -73.34 -37.37 66.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 31.87 110.605 179.761 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 27.3 ttpp -53.02 -37.84 61.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.964 -0.562 . . . . 42.85 110.886 179.958 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.36 -24.24 66.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.106 -0.497 . . . . 39.34 111.0 -179.979 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -143.42 75.69 1.49 Allowed 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 116.226 -0.443 . . . . 39.28 110.949 179.952 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.183 -0.913 . . . . 45.26 110.904 -179.926 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.817 0.341 . . . . 41.12 111.141 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 53' ' ' ASN . . . . . 0.434 ' OD1' ' HB3' ' C' ' 55' ' ' ALA . 17.8 p30 -161.11 -177.82 6.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 36.5 111.032 -179.984 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -73.55 -28.64 61.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 35.6 110.921 -179.923 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 55' ' ' ALA . . . . . 0.434 ' HB3' ' OD1' ' C' ' 53' ' ' ASN . . . -62.98 -39.54 95.0 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.385 -0.37 . . . . 31.7 110.524 179.71 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.3 -55.88 26.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.025 -0.534 . . . . 27.86 110.375 179.546 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' C' C ' 57' ' ' ARG . . . . . . . . . . . . . 54.7 ttp180 -64.69 -49.14 72.08 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.904 -0.589 . . . . 31.96 110.231 179.477 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 58' ' ' LEU . . . . . 0.621 HD13 ' C ' ' C' ' 58' ' ' LEU . 1.3 tm? -54.71 -51.33 65.93 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.767 -0.651 . . . . 24.95 110.251 179.39 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' C' C ' 59' ' ' ALA . . . . . 0.513 ' N ' HD13 ' C' ' 58' ' ' LEU . . . -58.25 -43.89 88.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.106 -0.497 . . . . 22.72 110.861 179.584 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -52.38 -37.08 55.5 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.024 -0.534 . . . . 25.2 110.796 179.871 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -72.53 -41.65 65.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.274 -0.421 . . . . 26.77 110.772 179.869 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' C' C ' 62' ' ' GLN . . . . . 0.56 ' O ' HG23 ' C' ' 66' ' ' VAL . 70.5 mm-40 -62.99 -39.83 95.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.093 -0.503 . . . . 23.29 110.682 179.727 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' C' C ' 63' ' ' SER . . . . . . . . . . . . . 14.8 p -71.0 -33.05 70.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.062 -0.517 . . . . 16.21 110.658 179.787 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -69.73 -34.02 73.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.083 -0.508 . . . . 22.22 110.713 179.836 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 65' ' ' LEU . . . . . . . . . . . . . 1.2 mt -70.25 -40.75 74.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 14.39 110.69 179.814 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 66' ' ' VAL . . . . . 0.56 HG23 ' O ' ' C' ' 62' ' ' GLN . 45.7 t -68.96 -40.92 81.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 12.18 110.873 179.771 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' C' C ' 67' ' ' LYS . . . . . . . . . . . . . 24.1 tttt -63.99 -43.71 94.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.994 -0.548 . . . . 19.01 110.713 179.907 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 68' ' ' LYS . . . . . . . . . . . . . 21.1 mtpt -60.87 -38.25 84.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 16.56 110.581 179.737 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 69' ' ' MET . . . . . . . . . . . . . 20.8 ttp -65.73 -43.29 89.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.05 -0.523 . . . . 6.82 110.704 179.764 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 77.8 t -71.33 -42.9 74.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 6.5 110.872 179.863 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 71' ' ' PHE . . . . . 0.438 ' CZ ' ' HD3' ' C' ' 75' ' ' LYS . 10.6 t80 -51.55 -60.65 2.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.784 0.325 . . . . 8.55 110.475 179.671 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -53.34 -47.35 69.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 10.09 110.671 179.918 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 73' ' ' THR . . . . . . . . . . . . . 18.1 m -60.7 -69.76 0.21 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.318 -0.401 . . . . 14.78 110.277 179.742 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 74' ' ' LEU . . . . . 0.514 HD12 ' HB2' ' D' ' 62' ' ' GLN . 15.5 mt -51.14 -36.98 43.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.059 -0.519 . . . . 17.4 111.134 -179.965 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' C' C ' 75' ' ' LYS . . . . . 0.438 ' HD3' ' CZ ' ' C' ' 71' ' ' PHE . 14.8 ttpt -55.91 -67.43 0.29 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.128 0.49 . . . . 17.46 110.073 179.442 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' C' C ' 76' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.03 -30.45 71.61 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.541 -0.754 . . . . 14.76 110.903 179.676 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' C' C ' 77' ' ' LEU . . . . . 0.608 ' O ' HD12 ' C' ' 77' ' ' LEU . 1.3 tp -65.16 -55.97 15.58 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.407 -0.36 . . . . 20.29 110.564 179.968 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' C' C ' 78' ' ' TYR . . . . . . . . . . . . . 22.4 m-30 -62.29 -26.35 68.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.291 -0.413 . . . . 23.93 110.369 179.501 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.13 -29.9 68.05 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.026 -0.534 . . . . 27.93 110.743 179.893 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 3.7 tttt -60.11 -37.87 81.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.477 . . . . 27.41 110.707 179.878 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 81' ' ' THR . . . . . 0.414 HG21 HD13 ' B' ' 77' ' ' LEU . 31.5 p -64.83 -56.47 13.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.027 -0.533 . . . . 32.99 110.893 179.952 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' C' C ' 82' ' ' THR . . . . . . . . . . . . . 29.8 p . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.245 -0.883 . . . . 37.85 110.948 -179.985 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' D' D ' 52' ' ' ARG . . . . . . . . . . . . . 16.8 mtm-85 . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 120.827 0.346 . . . . 45.39 111.266 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' D' D ' 53' ' ' ASN . . . . . 0.812 ' ND2' ' HB3' ' D' ' 55' ' ' ALA . 0.3 OUTLIER 178.82 172.96 0.75 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.231 -0.44 . . . . 40.26 110.927 179.989 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -54.65 -27.78 42.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.096 -0.502 . . . . 34.01 110.975 -179.963 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' D' D ' 55' ' ' ALA . . . . . 0.812 ' HB3' ' ND2' ' D' ' 53' ' ' ASN . . . -51.01 -40.61 58.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.303 -0.408 . . . . 33.04 110.772 179.874 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -72.46 -49.81 30.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.103 -0.499 . . . . 29.31 110.581 179.769 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' D' D ' 57' ' ' ARG . . . . . . . . . . . . . 31.3 mtt85 -56.01 -36.56 68.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.468 . . . . 32.14 110.548 179.698 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' D' D ' 58' ' ' LEU . . . . . 0.736 HD22 HG23 ' B' ' 73' ' ' THR . 50.7 mt -66.65 -62.1 1.63 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 20.11 110.651 179.764 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' D' D ' 59' ' ' ALA . . . . . . . . . . . . . . . -48.15 -29.26 3.52 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.845 -0.616 . . . . 16.92 111.059 179.891 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' D' D ' 60' ' ' ASP . . . . . . . . . . . . . 62.5 t0 -79.39 -33.01 43.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.084 -0.507 . . . . 18.26 110.526 179.777 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' D' D ' 61' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.81 -41.17 75.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.104 -0.498 . . . . 12.8 110.27 179.351 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' D' D ' 62' ' ' GLN . . . . . 0.514 ' HB2' HD12 ' C' ' 74' ' ' LEU . 2.1 mm-40 -73.46 -47.54 40.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.734 -0.666 . . . . 12.74 110.603 179.671 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' D' D ' 63' ' ' SER . . . . . . . . . . . . . 50.5 p -52.31 -55.69 19.74 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.274 -0.421 . . . . 14.77 110.529 -179.992 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' D' D ' 64' ' ' GLU . . . . . 0.432 ' HG3' ' N ' ' D' ' 65' ' ' LEU . 10.2 pt-20 -52.69 -36.68 57.62 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 116.141 -0.481 . . . . 15.08 110.124 179.473 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' D' D ' 65' ' ' LEU . . . . . 0.432 ' N ' ' HG3' ' D' ' 64' ' ' GLU . 0.2 OUTLIER -62.77 -37.88 88.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.869 -0.605 . . . . 7.26 110.43 179.399 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' D' D ' 66' ' ' VAL . . . . . 0.651 HG13 ' CE ' ' D' ' 69' ' ' MET . 22.3 t -68.54 -36.72 75.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.122 -0.49 . . . . 8.51 111.448 -179.971 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' D' D ' 67' ' ' LYS . . . . . 0.423 ' O ' ' CB ' ' D' ' 71' ' ' PHE . 3.5 tttm -68.95 -33.9 74.47 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.357 -0.383 . . . . 20.21 110.919 -179.796 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' D' D ' 68' ' ' LYS . . . . . . . . . . . . . 10.0 mttp -75.27 -38.54 60.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.319 -0.4 . . . . 12.13 110.944 179.958 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' D' D ' 69' ' ' MET . . . . . 0.651 ' CE ' HG13 ' D' ' 66' ' ' VAL . 18.6 ptt? -76.44 -33.63 58.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.32 -0.4 . . . . 11.82 110.823 179.915 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' D' D ' 70' ' ' VAL . . . . . 0.615 HG23 ' O ' ' D' ' 66' ' ' VAL . 67.8 t -84.65 -25.83 7.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.188 -0.46 . . . . 13.87 111.244 -179.824 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' D' D ' 71' ' ' PHE . . . . . 0.423 ' CB ' ' O ' ' D' ' 67' ' ' LYS . 21.1 t80 -71.32 -34.69 70.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.988 0.423 . . . . 21.22 110.413 179.437 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.31 -47.02 46.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.961 -0.563 . . . . 26.36 110.544 179.642 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' D' D ' 73' ' ' THR . . . . . 0.782 HG23 HD22 ' B' ' 58' ' ' LEU . 96.2 m -52.36 -52.3 54.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 20.32 110.574 179.735 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' D' D ' 74' ' ' LEU . . . . . 0.624 HD23 HD12 ' D' ' 77' ' ' LEU . 48.8 mt -56.53 -42.75 78.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 24.88 110.661 179.74 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' D' D ' 75' ' ' LYS . . . . . . . . . . . . . 3.3 tptp -52.4 -44.24 65.23 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.091 0.472 . . . . 31.13 110.319 179.572 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' D' D ' 76' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -74.34 -29.33 61.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.814 -0.63 . . . . 31.38 110.487 179.544 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' D' D ' 77' ' ' LEU . . . . . 0.624 HD12 HD23 ' D' ' 74' ' ' LEU . 27.4 mt -63.6 -52.09 62.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.89 -0.596 . . . . 30.5 110.64 179.787 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' D' D ' 78' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -73.5 -37.04 65.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.034 -0.53 . . . . 35.3 110.635 179.79 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' D' D ' 79' ' ' LYS . . . . . . . . . . . . . 27.4 ttpp -53.45 -37.47 62.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.945 -0.571 . . . . 39.42 110.902 -179.999 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' D' D ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.58 -24.36 66.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 44.27 110.937 -179.995 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' D' D ' 81' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -143.27 75.58 1.49 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 41.93 110.93 -179.984 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' D' D ' 82' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.094 0 CA-C-O 118.264 -0.874 . . . . 48.85 110.883 179.989 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 11.0 mmt180 . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 120.824 0.345 . . . . 45.89 111.266 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -104.65 23.93 12.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 42.27 111.127 -179.903 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.34 -34.12 36.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.32 -0.4 . . . . 39.63 110.757 179.919 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.08 -49.16 71.13 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.252 -0.431 . . . . 35.68 110.65 179.664 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -63.23 -44.03 96.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.043 -0.526 . . . . 30.76 110.317 179.486 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 41.9 ttm-85 -67.72 -42.77 81.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.834 -0.621 . . . . 37.45 110.348 179.493 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.574 HD13 ' OH ' ' B' ' 78' ' ' TYR . 12.0 mt -57.91 -48.52 79.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.805 -0.634 . . . . 27.61 110.648 179.655 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.92 -41.57 62.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.094 -0.503 . . . . 20.66 110.78 179.883 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -72.56 -31.54 65.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.122 -0.49 . . . . 19.29 110.589 179.85 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.96 -51.68 30.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 21.57 110.76 179.771 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.699 ' HA ' HD12 ' A' ' 65' ' ' LEU . 47.7 mm-40 -58.2 -44.64 88.22 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.989 -0.55 . . . . 24.39 110.664 179.778 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.3 p -62.76 -35.42 79.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.488 . . . . 18.32 110.761 179.849 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -57.64 -41.94 82.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.079 -0.509 . . . . 26.79 110.723 179.955 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.699 HD12 ' HA ' ' A' ' 62' ' ' GLN . 2.1 mt -64.41 -39.17 93.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.264 -0.426 . . . . 18.8 110.615 179.797 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 49.1 t -69.5 -45.91 77.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 15.12 111.012 179.82 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 17.0 tttm -59.24 -57.68 11.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.29 -0.414 . . . . 9.56 110.355 179.708 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.71 -31.43 64.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.475 . . . . 13.59 110.213 179.503 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 13.6 tmm? -69.49 -42.7 74.42 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.952 -0.567 . . . . 8.61 110.467 179.523 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.407 HG13 ' HG ' ' A' ' 74' ' ' LEU . 44.1 t -69.52 -33.13 55.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.032 -0.531 . . . . 9.23 110.575 179.678 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.431 ' O ' ' CB ' ' A' ' 75' ' ' LYS . 10.8 t80 -55.08 -58.39 7.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.338 -0.392 . . . . 14.77 110.344 179.641 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -52.44 -50.92 61.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 13.3 110.722 179.834 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.8 m -57.17 -71.17 0.1 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.363 -0.38 . . . . 10.79 110.287 179.702 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.705 HD12 ' HB2' ' B' ' 62' ' ' GLN . 12.9 mt -49.75 -37.36 29.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 13.03 111.013 -179.925 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.431 ' CB ' ' O ' ' A' ' 71' ' ' PHE . 2.9 ttpt -54.9 -68.75 0.16 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.142 -0.481 . . . . 13.99 110.367 179.406 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.37 -25.04 67.7 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.541 -0.754 . . . . 17.42 111.016 179.813 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.624 ' C ' HD12 ' A' ' 77' ' ' LEU . 0.7 OUTLIER -71.72 -65.56 0.75 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.311 -0.404 . . . . 21.22 110.765 -179.917 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.527 ' CD1' HD11 ' D' ' 77' ' ' LEU . 18.9 m-85 -52.5 -32.45 40.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.814 0.34 . . . . 25.78 110.575 179.714 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 14.8 ttmt -58.77 -35.12 72.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 23.86 110.577 179.74 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 7.9 ttpt -70.06 -29.06 65.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 28.59 110.731 179.777 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -71.27 -36.84 71.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 34.09 110.97 179.973 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.273 -0.87 . . . . 37.91 110.948 -179.968 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.485 1.314 0 CA-C-O 120.842 0.353 . . . . 44.59 111.216 . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -108.86 24.4 13.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 39.3 110.872 179.927 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.26 -31.63 72.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.225 -0.443 . . . . 34.01 110.909 -179.915 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.08 -44.47 95.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.431 . . . . 30.47 110.942 179.881 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.34 -48.99 71.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.074 -0.512 . . . . 34.53 110.7 179.806 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 78.9 mtt180 -57.3 -34.24 68.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.106 -0.497 . . . . 28.91 110.761 179.91 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . 0.835 HD22 HG23 ' D' ' 73' ' ' THR . 17.2 mt -67.58 -59.4 3.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.079 -0.509 . . . . 22.99 110.994 -179.91 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -46.36 -34.75 4.83 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.941 -0.572 . . . . 20.24 111.11 179.967 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -62.33 -48.67 78.82 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.0 -0.545 . . . . 18.4 110.535 179.746 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 91.9 mt-10 -61.8 -33.38 74.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.1 -0.5 . . . . 12.27 110.556 179.739 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . 0.721 ' O ' HG23 ' B' ' 66' ' ' VAL . 6.1 mm-40 -71.95 -49.54 36.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.112 -0.494 . . . . 11.29 110.549 179.707 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 1.3 m -52.05 -60.26 3.4 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.125 -0.489 . . . . 17.06 110.763 -179.969 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 26.4 pt-20 -51.08 -35.32 34.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 18.75 110.793 179.888 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.33 -41.16 81.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 10.25 110.697 179.776 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . 0.721 HG23 ' O ' ' B' ' 62' ' ' GLN . 17.6 t -64.55 -35.7 75.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.268 -0.424 . . . . 8.41 111.107 179.923 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . 0.403 ' O ' ' N ' ' B' ' 71' ' ' PHE . 11.8 tttt -63.05 -53.11 58.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 13.58 110.922 -179.901 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.11 -30.68 64.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.896 0.379 . . . . 8.61 110.601 179.928 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 69' ' ' MET . . . . . . . . . . . . . 49.9 ttp -71.82 -53.99 11.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.04 -0.527 . . . . 10.84 110.805 179.86 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.605 HG13 ' OH ' ' C' ' 78' ' ' TYR . 61.0 t -74.55 -20.65 17.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 10.42 111.253 -179.974 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.403 ' N ' ' O ' ' B' ' 67' ' ' LYS . 21.9 t80 -65.21 -49.38 69.93 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.44 -0.345 . . . . 17.7 110.623 179.777 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -65.05 -41.2 95.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 23.74 110.65 179.737 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 73' ' ' THR . . . . . 0.848 HG23 HD22 ' D' ' 58' ' ' LEU . 96.0 m -58.19 -58.45 8.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 23.92 110.847 179.883 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 74' ' ' LEU . . . . . 0.572 ' HA ' HD12 ' B' ' 77' ' ' LEU . 30.0 mt -51.63 -42.08 61.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 26.92 110.934 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -50.46 -48.48 56.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.983 0.42 . . . . 27.95 110.786 179.864 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.57 -32.11 67.71 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.927 -0.578 . . . . 28.21 110.616 179.695 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.572 HD12 ' HA ' ' B' ' 74' ' ' LEU . 20.3 mt -58.5 -39.67 80.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.015 -0.539 . . . . 28.37 110.734 179.916 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 78' ' ' TYR . . . . . 0.574 ' OH ' HD13 ' A' ' 58' ' ' LEU . 26.5 m-85 -85.01 -42.78 14.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 34.13 110.716 179.81 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 31.6 ttpt -57.25 -46.02 83.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.046 -0.525 . . . . 41.93 110.945 179.963 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -57.72 -21.32 40.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 42.22 111.239 -179.995 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . 0.46 HG23 ' O ' ' B' ' 81' ' ' THR . 4.5 t -158.93 94.36 1.22 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.384 -0.371 . . . . 40.37 110.915 179.875 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.43 HG23 ' O ' ' B' ' 78' ' ' TYR . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.283 -0.865 . . . . 45.55 110.867 -179.956 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' C' C ' 52' ' ' ARG . . . . . . . . . . . . . 11.0 mmt180 . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.842 0.353 . . . . 47.78 111.154 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' C' C ' 53' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -104.76 24.02 12.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 36.37 111.07 -179.912 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.44 -33.96 36.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.352 -0.385 . . . . 38.62 110.775 179.89 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.26 -49.07 70.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.257 -0.429 . . . . 30.23 110.572 179.702 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -63.36 -43.91 96.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.068 -0.514 . . . . 28.09 110.32 179.506 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 57' ' ' ARG . . . . . . . . . . . . . 42.6 ttm-85 -67.9 -42.73 80.7 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.852 -0.613 . . . . 26.82 110.326 179.472 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 58' ' ' LEU . . . . . 0.592 HD13 ' OH ' ' D' ' 78' ' ' TYR . 12.1 mt -57.82 -48.55 79.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.805 -0.634 . . . . 28.22 110.648 179.552 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.94 -41.38 61.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.026 -0.534 . . . . 24.18 110.874 179.887 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -72.82 -31.4 64.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.123 -0.489 . . . . 26.69 110.571 179.84 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.97 -51.82 29.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 27.04 110.686 179.778 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' C' C ' 62' ' ' GLN . . . . . 0.703 ' HA ' HD12 ' C' ' 65' ' ' LEU . 47.6 mm-40 -58.14 -44.48 87.84 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.95 -0.568 . . . . 19.21 110.748 179.795 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' C' C ' 63' ' ' SER . . . . . . . . . . . . . 3.3 p -63.02 -35.35 79.93 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.008 -0.542 . . . . 15.82 110.702 179.91 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -57.52 -41.95 81.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 18.43 110.81 179.857 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 65' ' ' LEU . . . . . 0.703 HD12 ' HA ' ' C' ' 62' ' ' GLN . 2.1 mt -64.47 -39.08 93.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 16.79 110.619 179.784 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' C' C ' 66' ' ' VAL . . . . . . . . . . . . . 50.9 t -69.5 -45.87 77.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 9.96 110.967 179.842 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 67' ' ' LYS . . . . . . . . . . . . . 17.2 tttm -59.28 -57.93 10.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.213 -0.449 . . . . 18.31 110.416 179.626 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.54 -31.46 64.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 20.1 110.277 179.489 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' C' C ' 69' ' ' MET . . . . . . . . . . . . . 13.6 tmm? -69.37 -42.62 74.94 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.994 -0.548 . . . . 8.97 110.528 179.52 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 70' ' ' VAL . . . . . 0.406 HG13 ' HG ' ' C' ' 74' ' ' LEU . 43.4 t -69.58 -33.03 54.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.918 -0.583 . . . . 5.89 110.612 179.68 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' C' C ' 71' ' ' PHE . . . . . 0.423 ' O ' ' CB ' ' C' ' 75' ' ' LYS . 10.7 t80 -55.22 -58.36 8.0 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.198 -0.455 . . . . 16.96 110.321 179.701 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -52.5 -50.99 61.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 8.39 110.664 179.82 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 73' ' ' THR . . . . . . . . . . . . . 18.9 m -57.03 -71.13 0.1 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.373 -0.376 . . . . 12.15 110.297 179.708 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 74' ' ' LEU . . . . . 0.718 HD12 ' HB2' ' D' ' 62' ' ' GLN . 12.5 mt -49.56 -37.78 28.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.121 -0.491 . . . . 18.67 111.083 179.964 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' C' C ' 75' ' ' LYS . . . . . 0.423 ' CB ' ' O ' ' C' ' 71' ' ' PHE . 2.9 ttpt -54.71 -68.87 0.15 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.126 0.489 . . . . 19.75 110.354 179.473 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' C' C ' 76' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.16 -25.11 67.57 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.581 -0.736 . . . . 15.5 111.041 179.798 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' C' C ' 77' ' ' LEU . . . . . 0.616 HD12 ' C ' ' C' ' 77' ' ' LEU . 0.7 OUTLIER -71.67 -65.55 0.74 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.262 -0.426 . . . . 19.11 110.782 -179.895 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' C' C ' 78' ' ' TYR . . . . . 0.605 ' OH ' HG13 ' B' ' 70' ' ' VAL . 19.0 m-85 -52.66 -32.36 41.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.428 -0.351 . . . . 25.83 110.586 179.777 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 14.8 ttmt -58.59 -35.24 72.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 27.44 110.61 179.635 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 7.9 ttpt -70.03 -28.93 65.88 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.21 -0.45 . . . . 30.36 110.894 179.79 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -71.41 -36.88 71.5 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.12 -0.491 . . . . 34.7 110.965 179.873 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' C' C ' 82' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.201 -0.904 . . . . 40.89 110.924 179.987 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' D' D ' 52' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.485 1.325 0 CA-C-O 120.821 0.343 . . . . 42.75 111.186 . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' D' D ' 53' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -108.98 24.65 12.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.215 -0.448 . . . . 40.54 110.859 179.973 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.47 -31.56 72.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.25 -0.432 . . . . 33.92 110.866 -179.945 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' D' D ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.18 -44.45 95.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.23 -0.441 . . . . 33.04 110.883 179.959 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.25 -48.99 71.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 31.67 110.739 179.729 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' D' D ' 57' ' ' ARG . . . . . . . . . . . . . 78.9 mtt180 -57.4 -34.01 68.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.125 -0.489 . . . . 25.95 110.818 179.927 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' D' D ' 58' ' ' LEU . . . . . 0.848 HD22 HG23 ' B' ' 73' ' ' THR . 17.4 mt -67.79 -59.8 3.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.101 -0.5 . . . . 18.51 110.919 -179.923 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' D' D ' 59' ' ' ALA . . . . . . . . . . . . . . . -45.97 -34.79 4.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.994 -0.548 . . . . 18.16 111.068 179.901 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' D' D ' 60' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -62.44 -48.5 79.39 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.051 -0.522 . . . . 22.67 110.601 179.792 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' D' D ' 61' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -61.87 -33.35 74.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 16.96 110.604 179.647 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' D' D ' 62' ' ' GLN . . . . . 0.722 ' O ' HG23 ' D' ' 66' ' ' VAL . 5.4 mm-40 -72.23 -49.01 38.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.042 -0.526 . . . . 15.14 110.697 179.654 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' D' D ' 63' ' ' SER . . . . . . . . . . . . . 1.3 m -52.4 -60.04 3.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.187 -0.461 . . . . 13.11 110.689 179.979 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' D' D ' 64' ' ' GLU . . . . . . . . . . . . . 26.4 pt-20 -51.06 -35.46 34.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 8.58 110.802 179.81 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' D' D ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.28 -41.36 81.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.055 -0.521 . . . . 5.26 110.72 179.75 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' D' D ' 66' ' ' VAL . . . . . 0.722 HG23 ' O ' ' D' ' 62' ' ' GLN . 18.5 t -64.48 -35.33 74.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.256 -0.429 . . . . 6.73 111.133 179.887 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' D' D ' 67' ' ' LYS . . . . . . . . . . . . . 11.9 tttt -63.33 -53.25 55.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 17.19 110.94 -179.939 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' D' D ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.15 -30.41 64.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.356 -0.384 . . . . 17.55 110.626 179.926 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' D' D ' 69' ' ' MET . . . . . . . . . . . . . 50.9 ttp -72.05 -53.95 11.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.059 -0.519 . . . . 12.85 110.835 179.865 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' D' D ' 70' ' ' VAL . . . . . 0.494 HG13 ' OH ' ' A' ' 78' ' ' TYR . 62.1 t -74.7 -20.36 16.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.283 -0.417 . . . . 15.34 111.235 179.965 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 21.7 t80 -65.29 -49.3 70.03 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.907 0.384 . . . . 25.04 110.621 179.667 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -65.14 -41.09 95.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.135 -0.484 . . . . 28.8 110.71 179.784 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' D' D ' 73' ' ' THR . . . . . 0.835 HG23 HD22 ' B' ' 58' ' ' LEU . 96.2 m -58.29 -58.57 7.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.042 -0.526 . . . . 21.53 110.813 179.801 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' D' D ' 74' ' ' LEU . . . . . 0.574 ' HA ' HD12 ' D' ' 77' ' ' LEU . 30.2 mt -51.51 -42.07 61.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.479 . . . . 21.13 110.932 -180.0 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' D' D ' 75' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -50.54 -48.4 57.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.264 -0.426 . . . . 27.39 110.706 179.915 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' D' D ' 76' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.7 -32.03 67.39 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.975 -0.557 . . . . 31.07 110.643 179.8 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' D' D ' 77' ' ' LEU . . . . . 0.574 HD12 ' HA ' ' D' ' 74' ' ' LEU . 20.6 mt -58.54 -39.68 80.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.044 -0.525 . . . . 30.6 110.719 179.873 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' D' D ' 78' ' ' TYR . . . . . 0.592 ' OH ' HD13 ' C' ' 58' ' ' LEU . 26.1 m-85 -84.91 -42.79 14.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.099 -0.5 . . . . 32.87 110.672 179.849 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' D' D ' 79' ' ' LYS . . . . . . . . . . . . . 31.8 ttpt -57.34 -45.87 83.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.022 -0.535 . . . . 39.32 110.947 179.995 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' D' D ' 80' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -57.79 -21.4 41.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 40.2 111.153 -179.951 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' D' D ' 81' ' ' THR . . . . . 0.475 HG23 ' O ' ' D' ' 81' ' ' THR . 4.5 t -158.96 94.39 1.22 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.878 0.37 . . . . 40.58 110.881 179.896 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' D' D ' 82' ' ' THR . . . . . 0.424 HG23 ' O ' ' D' ' 78' ' ' TYR . 0.2 OUTLIER . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.253 -0.879 . . . . 46.04 110.96 -179.989 . . . . . . . . 2 2 . 1 stop_ save_